Inference code for RFdiffusion2

✔（已完结）超级全面的 深度学习 笔记【土堆 Pytorch】【李沐 动手学深度学习】【吴恩达 深度学习】【大飞 大模型Agent】

Dataset of Organic Photovoltaics

Colab Notebooks covering deep learning tools for biomolecular structure prediction and design

[ICML'24] Adsorbate Placement via Conditional Denoising Diffusion

[NeurIPS 2024] The implementation for the paper "Learning Superconductivity from Ordered and Disordered Material Structures"

Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions"

Graph deep learning library for materials

Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs

AutoMat focuses on characterization to property analysis.

Open-source evaluation toolkit of large multi-modality models (LMMs), support 220+ LMMs, 80+ benchmarks

Book_2_《可视之美》 | 鸢尾花书：从加减乘除到机器学习，欢迎批评指正

The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)

[NeurIPS '25] Knowledge Graph Generation from Any Text

Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…

An elegant PyTorch deep reinforcement learning library.

An API standard for single-agent reinforcement learning environments, with popular reference environments and related utilities (formerly Gym)

This is the homepage of a new book entitled "Mathematical Foundations of Reinforcement Learning."

NeurIPS 2023 paper: De novo Drug Design using Reinforcement Learning with Multiple GPT Agents

Recipe for a General, Powerful, Scalable Graph Transformer

Computational design and screening of acceptor materials for organic solar cells