v0.13.0

What's Changed

New

• feat: regularize output file name in structure generating (#477) @SchrodingersCattt
• feat: add logging for function declarations and track error handling … (#480) @Rasic2
• feat: add scene description of traj analysis (#467) @SchrodingersCattt
• feat: update FileParseAgent instruction ; Set the tools under the sence tag UNIVERSAL as general tools ; Take some tools under CHEMBRAIN offline (#463) @beform88
• feat: add confirmation_event & promp (#464) @styxhuang
• feat: update uat links to mcphub for dpa and struct gen (#462) @SchrodingersCattt
• feat: visualizer skipping plan confirmation (#460) @SchrodingersCattt
• feat: add title parameter to generate_follow_up event for clarity (#454) @styxhuang
• feat: recommended question for ABACUS (#448) @ahxbcn
• feat: llm tool file (#442) @Rasic2
• feat: remove unavailable tools (#441) @SchrodingersCattt
• feat: Updated some scene tags and tool descriptions (#437) @beform88
• feat: add follow-up agent to generate suggested questions (#428) @styxhuang
• feat: steel strength prediction (#426) @NingWang-art
• feat: update recommended questions for SN, struc gen, and dpa (#427) @SchrodingersCattt
• feat: support plan-bypass for web-search -> extract_info_from_webpage and llm_tool (#423) @SchrodingersCattt
• feat: physical adsorption mcp (#419) @594233
• feat: Update perovskite agent with unimol prediction ability (#420) @newtontech
• feat: enhance structure generation expansion with web-searching (#415) @SchrodingersCattt
• feat: HEA_fixprecommit (#413) @zhang-js25
• feat: switch slab building to sync. with timeout (#408) @SchrodingersCattt
• feat: add styled execution result card to enhance communication of ex… (#411) @Rasic2
• feat: Merge branch 'perovskite_database' (#404) @newtontech
• feat: enhance logging and LLM response update by expanding function c… (#405) @Rasic2
• feat: bypass plan confirmation for certain tools (#402) @SchrodingersCattt
• feat: doe agent (#397) @cherushui
• feat: icl example selector for Input Expand\Toolchain\Sence Tag fix: modify the tool description for querying the literature database (#401) @beform88
• feat: enhance SN parsing by distinguishing prompts (#396) @SchrodingersCattt
• feat: add ToolAgent to improve tool management and default step namin… (#395) @Rasic2
• feat: HEAbrain v0.1 (#383) @NingWang-art
• feat: enhance function call handling by adding manual creation and lo… (#390) @Rasic2
• feat: add asynchronous agent handling to improve tool execution flexi… (#387) @Rasic2
• feat: user-consume & add web-search & paper-list (#377) @Rasic2
• feat: ABACUS agent server address update (#372) @ahxbcn
• feat: HEA_assistant tools update (#369) @zhang-js25
• feat: add summary agent (#365) @Rasic2
• feat: add xrd mcp (#363) @594233
• feat: add before_tool_call back for SN agent (#362) @SchrodingersCattt
• feat: enhance scene classification with descriptive support and stand… (#359) @Rasic2
• feat: add quota (#355) @Rasic2
• feat: integrate new chat agent prompt and enhance chat agent function… (#354) @Rasic2
• feat: add general web searching and parsing (#350) @SchrodingersCattt
• feat: add nmr agent and fix vaspkit agent (#344) @Letian88
• feat: add after_tool_callback attribute and import to enhance extensi… (#346) @Rasic2
• feat: support mcp tool (#342) @Rasic2
• feat: Add convexhull subagent and update superconductor and thermoelectric subagent for new framework (#339) @liuyuxiang92
• feat: deprecated phonon consume (#337) @Rasic2
• feat: add Science Navigator (#336) @SchrodingersCattt
• feat: add vaspkit agent (#334) @Letian88

Bug Fixes

• fix: change perovkite unimol server url to production (#479) @newtontech
• fix: add unimol url for prod (#476) @Letian88
• fix: update finetune_dpa_agent image address (#473) @liuyuxiang92
• fix: change nmr prod server to mcphub (#474) @Letian88
• fix: handle partial events correctly by avoiding unnecessary message … (#469) @Rasic2
• fix: follow up (#468) @Rasic2
• fix: update apex case url (#465) @Letian88
• fix: fix bug of steel strength prediction (#456) @NingWang-art
• fix: unielf server url (#459) @cherushui
• fix: default to object type when field type is missing to prevent errors (#458) @Rasic2
• fix: add output schema to agents using create_tool_args_schema for co… (#443) @Rasic2
• fix: fix sharing link key names (#440) @SchrodingersCattt
• fix: update apex image and update case url (#439) @Letian88
• fix: update case url and close unpack files for apex (#434) @Letian88
• fix: tool schema error (#433) @Rasic2
• fix: hallucination and html-render for execution_result_agent (#431) @SchrodingersCattt
• fix: add new case and share url (#425) @Letian88
• fix: add NMR and perovskite share url (#424) @Letian88
• fix: correct model assignment in DisallowTransferSchemaAgent for cons… (#421) @Rasic2
• fix: update apex case and share url (#417) @Letian88
• fix: update model parameter in DisallowTransferSchemaAgent initializa… (#418) @Rasic2
• fix: prevent processing of partial execution events to enhance event … (#416) @Rasic2
• fix: refine condition checks and error messages in agent functions fo… (#403) @Rasic2
• fix: modify NMR prompt and add NMR questions (#400) @Letian88
• fix: summarize database entry without full-text paper (#394) @NingWang-art
• fix: Rename EMAgent to ElectronMicroscopeAgent (#392) @594233
• fix: modify recommend question for apex and fix NMR prompt (#385) @Letian88
• fix: update message to include survey link when quota is insufficient (#384) @Rasic2
• fix: fixed wrong args return for before_tool_callback in SN (#370) @SchrodingersCattt
• fix: fix xrd_services address (#368) @594233
• fix: modify quota check to access 'remaining' within 'data' field in … (#366) @Rasic2
• fix: fix_errors (#364) @594233
• fix: update is_image_file to recognize .svg format as image file (#360) @Rasic2
• fix: add warning log and skip processing when field_name not in prope… (#358) @Rasic2
• fix: do not unpack tgz files for NMR (#357) @Letian88
• fix: nmr agent return format (#352) @Letian88
• fix: correct finetune dpa agent error (#351) @liuyuxiang92
• fix: appoint gemini-2.5-pro as LLM for execution results (#349) @SchrodingersCattt

Maintenance

• refactor: streamline agent sub_agent initializations and improve erro… (#478) @Rasic2
• refactor: convert follow_up_list to comma-separated string before pas… (#457) @styxhuang
• refactor: extract follow-up title to variable and pass follow-up list… (#455) @styxhuang
• refactor: streamline job result parsing and rendering by consolidatin… (#449) @Rasic2
• refactor: replace logging with logger for consistency and enhance log… (#446) @Rasic2
• refactor: avoid follow_up_questions key error (#444) @styxhuang
• refactor: remove fee field from recommend_question.json for simplific… (#378) @Rasic2

Other changes

• chore: update struct generation image (#481) @SchrodingersCattt
• chore: update mcp links for dpa, struc gen, traj (#475) @SchrodingersCattt
• chore: remove redundant recommended questions (#472) @SchrodingersCattt
• chore: remove execution result (#470) @Rasic2
• chore: update recommend_question.json (#466) @liuyuxiang92
• chore: chore/temp big dict (#461) @Rasic2
• chore: questionHEA_updates (#452) @zhang-js25
• chore: unielf polymer for streamable http (#450) @cherushui
• chore: temp remove title/list for frontend test (#451) @styxhuang
• chore: enhance format in agent outputs (#447) @SchrodingersCattt
• chore: Csa/chore ele cases (#445) @cherushui
• chore: update recommended questions (#438) @SchrodingersCattt
• chore: update share_url in recommend_question.json (#435) @liuyuxiang92
• chore: recommend_question_HEA (#432) @zhang-js25
• chore: update recommend questions (#430) @594233
• chore: enhanced prompts and callback for SN (#429) @SchrodingersCattt
• chore: update recommended questions for instrumental scenarios (#422) @SchrodingersCattt
• chore: reorder recommend_question.json (#399) @liuyuxiang92
• chore: prompt enhancement for DPA, SN, expansion, execution_results (#393) @SchrodingersCattt
• chore: update two examples to recommend_question.json (#391) @liuyuxiang92
• feat: add EM Agent (#389) @594233
• chore: update recommended prompts (#388) @SchrodingersCattt
• chore: enhanced SN query building and output quality (#386) @SchrodingersCattt
• chore: update recommend_question.json (#382) @liuyuxiang92
• chore: enhanced prompts and prior knowledge of DPA models (#381) @SchrodingersCattt
• chore: fix terminologies and several format issues in recommended questions (#380) @SchrodingersCattt
• chore: decoupled responsibilities of sub-agnet summary agent and execution result agent (#379) @SchrodingersCattt
• chore: remove redundant summaries for single-tool plan (#376) @SchrodingersCattt
• chore: remove redundant key in response dict (#371) @SchrodingersCattt
• chore: simplified prompts and summary agent (#367) @SchrodingersCattt
• chore: enhanced and simplified prompts of ScienceNavigator (#361) @SchrodingersCattt
• chore: enhance robustness of ScienceNavigator (#353) @SchrodingersCattt
• chore: Update recommend questions (#347) @liuyuxiang92
• chore: use global target_language for SN (#348) @SchrodingersCattt
• chore: enhanced SN to adapt plan-exe procedure (#345) @SchrodingersCattt
• chore: update paper retrieve to recommended_quesion (#343) @SchrodingersCattt
• chore: enhanced SN agent (#341) @SchrodingersCattt

Dependency Updates

• chore(deps): bump actions/checkout from 5 to 6 (#335) @dependabot[bot]

Full Changelog: v0.12.0...v0.13.0

v0.12.0

What's Changed

New

• feat: refactor structure_generator sub-agent (#332) @SchrodingersCattt
• feat: consolidate tool and job validator agents into generic validator with hallucination handling (#330) @Rasic2
• feat: add work_function as a new scene option for tool categorization (#329) @Rasic2
• feat: implement IntentAgent to manage user intent and modify upload f… (#328) @Rasic2
• feat: add lammps agent (#315) @SchrodingersCattt

Bug Fixes

• fix: enhance tool descriptions (#326) @SchrodingersCattt
• fix: add exception handling for JSON parsing to prevent failures and … (#327) @Rasic2
• fix: update mcp link (#321) @Letian88
• fix: update sse links of visualizer and doc_parser in prod env (#319) @SchrodingersCattt

Maintenance

• refactor: isolate ALL_TOOLS constant into a separate file for modular… (#331) @Rasic2
• refactor: consolidate function call filtering logic into a new helper… (#324) @Rasic2

Documentation

• docs: expand guidelines for structure_generate to cover a broader r… (#325) @Rasic2

Other changes

• chore: update image of structure generator (#333) @SchrodingersCattt
• chore: update bohr-agent-sdk and add mcp dependency in pyproject.toml (#322) @Rasic2
• chore: enhance tool descriptions (#320) @SchrodingersCattt

Full Changelog: v0.11.0...v0.12.0

v0.11.0

What's Changed

New

• feat: add lammps agent (#315) @SchrodingersCattt
• feat: use planner as new framework (#318) @Rasic2
• feat: update mapping. reduced the frequency of missing preliminary steps in the tool invocation chain (#314) @beform88
• feat: add recommend_question.json for Matmaster agent with example pr… (#312) @Rasic2
• feat: Use indivitual tools for each property in ABACUS (#306) @ahxbcn
• feat: prioritze dotenv setting by override=True in evaluation (#302) @SchrodingersCattt
• feat: add structure analysis in apex agent (#303) @Letian88
• feat: The local batch test can now output more detailed logs. (#300) @beform88
• feat: add structure analysis for apex and modify cost of apex (#297) @Letian88
• feat: add SubordinateSequentialAgent (#296) @Rasic2
• feat: Update prompt and image for ABACUS sub agent (#289) @ahxbcn
• feat: add get_storage_token into sandbox_api.py (#288) @Rasic2
• feat: implement SchemaAgent for JSON repair and replace ToolCallInfoA… (#287) @Rasic2
• feat: Modify Prompt for DFT property calculation and add standard of cost for apex (#279) @Letian88
• feat: Update finetune_dpa superconductor and thermoelectric agents im… (#280) @liuyuxiang92

Bug Fixes

• fix: Update prompts of ABACUS agent (#317) @ahxbcn
• fix: update apex image (#310) @Letian88
• fix: update image and fix the file reading problem (#309) @Letian88
• fix: fix a bug of apex properties calculation (#308) @Letian88
• fix: perovskite agent connection error (#301) @newtontech
• fix: add cost hint for apex (#298) @Letian88
• fix: load_tool_response error (#294) @Rasic2
• fix: temp fix for old chembrain frameworks (#291) @cherushui
• fix: enhance handling Windows system of experimental scripts (#290) @SchrodingersCattt
• fix: invocation_id_with_tool_call only one element (#284) @Rasic2
• fix: KeyError in job_agent.py:332 (#282) @Rasic2

Maintenance

• refactor: reorganize agents into sub_agents for improved modularity a… (#286) @Rasic2
• refactor: rename toolset variables across agents for clarity and cons… (#285) @Rasic2

Other changes

• refactor: remove apex_show_and_modify_config tool and related logic (#316) @Letian88
• chore: add negative prompts for tool desc. (#311) @SchrodingersCattt
• chore: enhance evaluation modules (#304) @SchrodingersCattt
• chore: add no-ensure-ascii args (#295) @Rasic2
• chore: add session.id logging (#293) @Rasic2
• chore: update main.py (#292) @Rasic2
• chore: update ABACUS_agent test server (#283) @Rasic2

Full Changelog: v0.10.0...v0.11.0

v0.10.0

What's Changed

New

• feat: introduce async handling for cost functions and material operations (#276) @Rasic2
• feat: integrate deepmerge for state delta handling in event updates (#274) @Rasic2
• feat: add resume_demo & resume_matmaster (#273) @Rasic2
• feat: enhance MatMaster NPS generation with improved context handling (#269) @Rasic2
• feat: Update dpa fine tune agent server url (#266) @liuyuxiang92
• feat: Update image used in thermoelectric and superconductor (#265) @liuyuxiang92

Bug Fixes

• fix: ensure correct handling and appending of events and text in job … (#277) @Rasic2
• fix: innovaction_id_with_tool_call not store in db (#271) @Rasic2
• fix: add default callback assignment for after_model_callback to ensu… (#270) @Rasic2
• fix: update dotenv loading to support environment-specific config files (#268) @Rasic2
• fix: correct logging statement to display accurate text content (#267) @Rasic2

Maintenance

• refactor: improve error handling for tool responses and streamline ut… (#272) @Rasic2
• refactor: use display_failed_result_or_consume in job_agent (#262) @Rasic2

Documentation

• docs: update tool call prompt & parameter confirmation prompt (#278) @Rasic2

Other changes

• chore: add new callback store db experiment with agent and main module (#275) @Rasic2
• chore: update check_job_create callback use new-api (#264) @Rasic2
• chore: add mcp_get_tools.py into scripts (#263) @Rasic2
• chore: switch all production URLs to non-secured HTTP versions in constants (#261) @Rasic2

Full Changelog: v0.9.0...v0.10.0

v0.9.0

What's Changed

New

• feat: Enhance card components with improved styling and animations (#258) @Rasic2
• feat: extend INVAR_agent to CompDART_agent (#257) @SchrodingersCattt
• feat: enhance agent architecture with photon consumption and improved error handling (#256) @Rasic2
• feat: task orchestrator agent (#251) @SchrodingersCattt
• feat: update image for finetune_dpa_agent (#250) @liuyuxiang92
• feat: fine tune dpa agent (#249) @liuyuxiang92

Bug Fixes

• fix: Mr dice v0.83 modify callback to solve HALLUCINATION and repeating CONFIRMATION (#252) @NingWang-art
• fix: Improve safe access for structuredContent (#253) @Rasic2
• fix: add conditions before logging to prevent errors when variables a… (#248) @Rasic2

Other changes

• chore: add MATERIALS_SKU_ID (#259) @Rasic2
• chore: update sse links for test envs of dpa and structure_gen (#254) @SchrodingersCattt

Full Changelog: v0.8.0...v0.9.0

v0.8.0

What's Changed

• feat: Mr dice v0.83 SQL MOFdb by @NingWang-art in #244
• chore: update dependencies opik and google-adk versions for compatibi… by @Rasic2 in #245
• refactor: enhance logging clarity and traceability with MATMASTER_AGENT_NAME by @Rasic2 in #247

Full Changelog: v0.7.0...v0.8.0

v0.7.0

What's Changed

New

• feat: enhance job operations with unified job ID handling, improved logging, and structured content management (#243) @Rasic2
• feat: Enhance job tracking and processing with URL functionality, improved error handling, and tool call management (#241) @Rasic2
• feat: add userId and sessionId injections to enhance request context … (#237) @Rasic2
• feat: add job deletion status and sandbox CLI for job management and … (#236) @Rasic2
• feat: add log analysis script to extract and count function calls fro… (#234) @Rasic2

Maintenance

• refactor: streamline state updates and update API endpoints for structure generation (#238) @Rasic2
• refactor: consolidate API constants for improved import structure and… (#233) @Rasic2

Other changes

• chore: update bohr-agent-sdk dependency version to 0.1.106 (#242) @Rasic2
• chore: remove outdated prompts in dpa and remove slab building in sync tools (#240) @SchrodingersCattt
• chore: support polling job status for sandbox (#239) @SchrodingersCattt

Full Changelog: v0.6.0...v0.7.0

v0.6.0

What's Changed

New

• feat: enhance model initialization with additional keyword arguments … (#228) @Rasic2
• feat: integrate jsonpickle to log results and remove temporary file a… (#223) @Rasic2
• feat: add optional download flag for conditional file download in script (#221) @Rasic2
• feat: Update organic reaction test server url and machine type (#212) @marvcks
• feat: APEX change cluster to acs for test (#216) @Letian88
• feat: Optimize hallucination issue where human_simulator prematurely determines task completion, Support adding PDF URLs to human_simulator test cases, Modify success_criteria for some test cases, Add new test cases related to doping/amorphous formation (#213) @beform88
• feat: enhance get_acs_result.py with job duration calculation and i… (#217) @Rasic2
• feat: add logging, URL status check, constants module, and environmen… (#215) @Rasic2
• feat: add ACS result download script with dotenv integration and JSON encoding fix (#214) @Rasic2
• feat: add mat inform parsing (#209) @SchrodingersCattt
• feat: update machine type and mcp url for sandbox (#208) @liuyuxiang92
• feat: add logging for origin_job_id, executor, and status in ResultCa… (#205) @Rasic2
• feat: acs piloteye (#201) @cherushui
• feat: add optional resource_type attribute to BohrJobInfo for enhance… (#202) @Rasic2
• feat: add machine dpa invar (#200) @SchrodingersCattt
• feat: Mr-Dice_v0.82 add Mofdb agent (#199) @NingWang-art

Bug Fixes

• fix: add uat environment and update image address (#232) @Letian88
• fix: streamline error handling in get_acs_result.py to exit on non-ze… (#231) @Rasic2
• fix: combine test and prod env (#226) @Letian88
• fix: reorder log output to follow condition check for error handling … (#224) @Rasic2
• fix: change Apex image for test env (#220) @Letian88
• fix: add check for response content to handle LLM completion errors s… (#219) @Rasic2
• fix: Update image for ABACUS_agent (#210) @ahxbcn
• fix: suggest bohrium containing mp; reduce possibility of repeating c… (#207) @NingWang-art

Maintenance

• refactor: replace hardcoded API URLs with dynamic formatting using OP… (#230) @Rasic2
• refactor: streamline job handling and remove unused attributes (#229) @Rasic2
• refactor: use pathlib for file existence check and update error loggi… (#225) @Rasic2
• refactor: extract token retrieval and file download logic into reusab… (#222) @Rasic2
• refactor: encapsulate download logic with status checks in a separate… (#218) @Rasic2
• refactor: update API configuration and constants for improved compatibility (#195) @Rasic2

Other changes

• chore: update .env.example by replacing Bohrium keys with Materials keys (#227) @Rasic2
• chore: fix sse link of invar (#206) @SchrodingersCattt
• chore: switch dev machine sse link (#203) @SchrodingersCattt

Full Changelog: v0.5.0...v0.6.0

v0.5.0

What's Changed

New

• feat: add doping and amorph (#194) @SchrodingersCattt
• feat: remove webpage parsing in doc parser (#193) @SchrodingersCattt
• feat: add dpa3 as joint default option in DPA calculation. (#186) @SchrodingersCattt
• feat: implement internationalized job status notifications with styled JobCompleteCard and refactor MatMaster agent for improved localization (#181) @Rasic2

Bug Fixes

• fix: add early return in matmaster_check_job_status to handle error o… (#198) @Rasic2
• fix: Update image and machine type used by ABACUS_agent (#196) @ahxbcn
• fix: enhanced doc format process (#184) @SchrodingersCattt

Maintenance

• refactor: Improve async code readability and streamline CI workflows (#192) @Rasic2

Documentation

• docs: update transfer guidelines to include user confirmation checks … (#197) @Rasic2
• docs: add detailed project overview and setup instructions in README.md (#183) @Rasic2

Other changes

• ci: enhance pre-commit update workflow with manual trigger and automa… (#191) @Rasic2
• chore: streamline code formatting and enhance pre-commit automation (#188) @Rasic2
• chore: fix import error (#185) @SchrodingersCattt
• chore: update GitHub Actions workflow to use GITHUB_TOKEN and re-enab… (#182) @Rasic2

Full Changelog: v0.4.0...v0.5.0

v0.4.0

What's Changed

New

• feat: add enhanced logging, reasoning tracking, and code optimization (#177) @Rasic2
• feat: add doc parser (#176) @SchrodingersCattt
• feat: add ability to toggle tgz file unpacking in agents using enable… (#174) @Rasic2
• feat: implement async job status fetching in matmaster_agent using ai… (#173) @Rasic2
• feat: integrate session state update and frontend text event handling… (#167) @Rasic2
• feat: Mr. Dice_v0.8, including multiple database agent integration, number of retrieval modification, results number limitation (#163) @NingWang-art
• feat: enhance MatMasterAgent with job status monitoring, language callback, and code style unification (#162) @Rasic2
• feat: use bash scripts for batch automated testing, modified some prompts in the human_simulator.py (#158) @beform88
• feat: add evaluation module and streamline multi-turn evaluation components (#156) @Rasic2
• feat: automated evaluating (#155) @beform88
• feat: unify quotation marks and implement dynamic language detection (#150) @Rasic2

Bug Fixes

• fix: Update image running ABACUS calculation (#180) @ahxbcn
• fix: Update image and executor for ABACUS_calculation_agent (#179) @ahxbcn
• fix: change to select the most suitable subagent, to reduce hallucina… (#178) @NingWang-art
• fix: reduce hallucination and support multiple requests even though d… (#172) @NingWang-art
• fix: Update prompts of ABACUS subagent (#171) @ahxbcn
• fix: adjust job complete notifications and ensure response list is re… (#166) @Rasic2
• fix: quote consistency and LLM response ordering in callback (#165) @Rasic2
• fix: update google-adk dependency to include a2a extra and bump versi… (#161) @Rasic2
• fix: remove random generation of space group numbers (#159) @A-LOST-WAPITI

Maintenance

• refactor: replace params_check_completed_agent with dynamic prompt in… (#175) @Rasic2
• refactor: streamline agent transition handling and enhance session tr… (#168) @Rasic2
• refactor: add auto-label mapping for refactor and improve script modularity (#160) @Rasic2

Documentation

• docs: clarify user interaction and fix task label for consistent documentation (#152) @Rasic2

Other changes

• chore: update label from 'docs' to 'documentation' in release-drafter… (#153) @Rasic2
• ci: exclude push events on main branch to prevent unnecessary checks (#151) @Rasic2
• chore: update GitHub Actions to streamline auto-labeling PRs by enhan… (#149) @Rasic2
• ci: add pre-commit configuration and unify code style across codebase (#144) @Rasic2
• ci: update pr-auto-label.yml (#143) @Rasic2
• ci: update pr-auto-label.yml (#142) @Rasic2
• ci: update github workflows (#141) @Rasic2

Dependency Updates

• chore(deps): bump actions/checkout from 4 to 5 (#148) @dependabot[bot]
• chore(deps): bump amannn/action-semantic-pull-request from 5 to 6 (#147) @dependabot[bot]
• chore(deps): bump actions/setup-python from 4 to 6 (#146) @dependabot[bot]

Full Changelog: v0.3.2...v0.4.0