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opendatalab /MinerU

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。

python pdf parser ocr pdf-converter extract-data document-analysis pdf-parser layout-analysis ai4science pdf-extractor-rag pdf-extractor-llm pdf-extractor-pretrain

UpdatedMar 13, 2025
Python

microsoft /Graphormer

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

deep-learning graph transformer ai4science molecule-simulation

UpdatedJun 7, 2024
Python

bytedance /Protenix

A trainable PyTorch reproduction of AlphaFold 3.

research ai4science

UpdatedMar 7, 2025
Python

yuzhimanhua /Awesome-Scientific-Language-Models

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

survey awesome-resources scientific-text-mining ai4science large-language-models

UpdatedFeb 26, 2025

JuDFTteam /best-of-atomistic-machine-learning

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

molecular-dynamics density-functional-theory computational-chemistry scientific-computing drug-discovery quantum-chemistry awesome-list materials-informatics condensed-matter electronic-structure surrogate-models atomistic-machine-learning interatomic-potentials scientific-machine-learning materials-discovery computational-materials-science best-of-list ai4science

UpdatedMar 15, 2025

microsoft /mattersim

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

machine-learning materials-science machine-learning-force-field computational-materials-science foundation-models ai4science ai4materials mlff

UpdatedFeb 24, 2025
Jupyter Notebook

PaddlePaddle /PaddleScience

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

machine-learning deep-learning supervised-learning paddlepaddle self-supervised-learning ai4science operator-learning

UpdatedMar 14, 2025
Python

shengchaochen82 /Awesome-Foundation-Models-for-Weather-and-Climate

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

weather machine-learning deep-learning climate dataset semi-supervised-learning representation-learning climate-change time-series-analysis self-supervised-learning spatial-temporal-forecasting spatial-temporal-data foundation-models ai4science large-language-models ai4earth weather-forecsating weather-forecating weather-and-climate-understanding largemodel

UpdatedFeb 3, 2025

davendw49 /k2

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

data-science geoscience kg geoai ai4science large-language-models llm

UpdatedJun 5, 2024
Python

ChemFoundationModels /ChemLLMBench

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

nlp benchmark chemistry ai4science large-language-models llm llms-benchmarking

UpdatedJul 26, 2024
Jupyter Notebook

patrick-tssn /Awesome-Colorful-LLM

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.

agent robotics awesome-list multimodal vision-and-language ai4science large-language-models llm

UpdatedMar 6, 2025

chao1224 /Geom3D

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

material chemistry geometry biology proteins physics drugs group symmetry molecules 3d crystals invariance equivariance 3d-structures ai4science

UpdatedJun 5, 2024
Python

AlexDuvalinho /geometric-gnns

List of Geometric GNNs for 3D atomic systems

datasets geometric-deep-learning graph-neural-networks coding-resource ai4science equivariant-networks molecules-and-materials

UpdatedFeb 29, 2024

chatsci /Aeiva

A general AI agent framework that can be adapted to various tasks and environments.

agent ai memory multi-agent-system multimodal ai4science llm world-model large-languge-models computer-usage computer-use self-evolving-systems

UpdatedFeb 3, 2025
Python

OSU-NLP-Group /LLM4Chem

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

chemistry molecule ai4science llms

UpdatedNov 12, 2024
Python

chiang-yuan /llamp

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

cheminformatics materials-informatics language-model ai4science retrieval-augmented-generation

UpdatedOct 14, 2024
Jupyter Notebook

deep-symbolic-mathematics /LLM-SR

[ICLR 2025 Oral] This is the official repo for the paper "LLM-SR" on Scientific Equation Discovery and Symbolic Regression with Large Language Models

program-synthesis symbolic-regression scientific-discovery equation-discovery ai4science large-language-models ai4code ai4math llm-agent

UpdatedMar 9, 2025
Python

OSU-NLP-Group /ScienceAgentBench

[ICLR'25] ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery

bioinformatics geoscience code-generation chemoinformatics task-automation cognitive-neuroscience ai4science large-language-models language-agent

UpdatedFeb 25, 2025
Python

AngxiaoYue /ReQFlow

🧬 ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation

point-cloud protein protein-design diffusion-models ai4science generative-ai flow-matching

UpdatedMar 9, 2025
Python

deep-symbolic-mathematics /TPSR

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

deep-learning transformers symbolic-regression language-model symbolic-math planning-algorithms interpretable-ml equation-discovery ai4science ai4math

UpdatedNov 4, 2024
Python

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