A high-quality tool for convert PDF to Markdown and JSON.一站式开源高质量数据提取工具，将PDF转换成Markdown和JSON格式。

Graphormer is a general-purpose deep learning backbone for molecular modeling.

A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery (EMNLP'24)

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.

A comprehesive survey about foundation models for weather and cliamte data understanding.

Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024

What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

Recent advancements propelled by large language models (LLMs), encompassing an array of domains including Vision, Audio, Agent, Robotics, Fundamental Sciences such as Mathematics, and Ominous.

List of Geometric GNNs for 3D atomic systems

Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"

A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai

[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".

[NeurIPS 2023] This is the official code for the paper "TPSR: Transformer-based Planning for Symbolic Regression"

Must-read papers on NLP for science.

The official code for "TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation"

[ICLR 2024 Spotlight] This is the official code for the paper "SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training"

ChatCell: Facilitating Single-Cell Analysis with Natural Language

ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.