Search Results - RepositoryStats

2.3k

29.4k

agpl-3.0

146

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。

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

Created 2024-02-29

2,453 commits to master branch, last one 7 days ago

Graphormer microsoft

347

2.2k

mit

29

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

graph ai4science transformer deep-learning molecule-simulation

Created 2021-05-27

77 commits to main branch, last one 10 months ago

Protenix bytedance

102

1.0k

apache-2.0

22

A trainable PyTorch reproduction of AlphaFold 3.

research ai4science

Created 2024-11-08

207 commits to main branch, last one 4 days ago

Awesome-Scientific-Language-Models yuzhimanhua

32

554

mit

10

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

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

Created 2024-01-05

94 commits to main branch, last one about a month ago

best-of-atomistic-machine-learning JuDFTteam

40

458

cc-by-sa-4.0

12

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

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

Created 2023-06-09

434 commits to main branch, last one a day ago

mattersim microsoft

39

366

mit

9

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

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

Created 2024-09-06

120 commits to main branch, last one about a month ago

PaddleScience PaddlePaddle

198

339

apache-2.0

18

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

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

Created 2021-11-09

1,460 commits to develop branch, last one 3 days ago

terratorch IBM

52

329

other

13

A Python toolkit for fine-tuning Geospatial Foundation Models (GFMs).

ai4good ai4science geospatial deep-learning weather-models computer-vision earth-observation foundation-models

Created 2024-05-15

1,380 commits to main branch, last one 2 days ago

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

32

219

unknown

7

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

Created 2023-11-13

46 commits to main branch, last one about a month ago

LucaOne LucaOne

26

202

apache-2.0

4

The resources of LucaOne, including: the model code, training scripts, embedding inference code, and trained checkpoints.

science embedding ai4biology ai4science deep-learning sequence-based-embedding nucleic-acid-and-protein-language generalized-biological-foundation-model

Created 2024-05-10

113 commits to master branch, last one 5 days ago

k2 davendw49

18

188

apache-2.0

6

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

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

Created 2023-06-05

49 commits to main branch, last one 9 months ago

ChemLLMBench ChemFoundationModels

6

139

unknown

5

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

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

Created 2023-05-21

62 commits to main branch, last one 8 months ago

Awesome-Colorful-LLM patrick-tssn

8

121

mit

5

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.

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

Created 2023-03-16

222 commits to main branch, last one 25 days ago

Geom3D chao1224

13

119

mit

2

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

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

Created 2023-06-07

9 commits to main branch, last one about a year ago

geometric-gnns AlexDuvalinho

7

104

unknown

1

List of Geometric GNNs for 3D atomic systems

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

Created 2023-08-31

37 commits to main branch, last one about a year ago

Aeiva chatsci

16

100

apache-2.0

3

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

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

Created 2023-05-29

100 commits to main branch, last one about a month ago

LLM4Chem OSU-NLP-Group

10

81

mit

7

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

llms molecule chemistry ai4science

Created 2024-02-13

9 commits to main branch, last one 10 months ago

llamp chiang-yuan

13

75

other

1

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

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

Created 2023-07-01

375 commits to main branch, last one 5 months ago

LLM-SR deep-symbolic-mathematics

10

74

mit

6

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

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

Created 2024-04-19

38 commits to main branch, last one 22 days ago

ScienceAgentBench OSU-NLP-Group

10

70

mit

3

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

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

Created 2024-10-02

52 commits to main branch, last one about a month ago

ReQFlow AngxiaoYue

5

68

unknown

3

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

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

Created 2025-02-18

36 commits to master branch, last one 22 days ago

TPSR deep-symbolic-mathematics

14

66

mit

5

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

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

Created 2023-10-09

86 commits to main branch, last one 4 months ago

TaxDiff PKU-YuanGroup

10

64

mit

4

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

ai4science generate-model meachine-learning protein-sequences

Created 2024-02-26

54 commits to main branch, last one 7 months ago

ProteinDT chao1224

6

63

mit

5

A Text-guided Protein Design Framework, Nat Mach Intell 2025

llm protein ai4science drug-design protein-design protein-editing foundation-model protein-sequence protein-structure large-language-model

Created 2023-02-05

7 commits to main branch, last one 2 months ago

GMN hanjq17

7

60

mit

1

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

dynamics ai4science constraints equivariance graph-neural-networks

Created 2022-02-22

21 commits to main branch, last one 9 months ago

NLP4SciencePapers zjunlp

6

57

unknown

5

Must-read papers on NLP for science.

ai nlp survey protein science moleculer ai4science paper-list awsome-list nlp4science transformer language-model pre-trained-model

Created 2022-09-16

22 commits to main branch, last one about a year ago

Graph-Aware-Transformers lamm-mit

5

55

apache-2.0

2

Graph-Aware Attention for Adaptive Dynamics in Transformers

llms graph language ai4science graph-aware materiomics llm-training materials-science attention-mechanism materials-informatics huggingface-transformers

Created 2025-01-03

48 commits to main branch, last one 2 months ago

awesome-epidemic-modeling-papers Emory-Melody

2

54

unknown

2

[KDD 2024] Papers about deep learning in epidemic modeling.

ai4science deep-learning epidemic-model machine-learning graph-neural-networks

Created 2024-04-11

17 commits to main branch, last one 5 months ago

Multimodal-Math-Pretraining deep-symbolic-mathematics

6

52

mit

2

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

ai4math ai4science multi-modal transformers deep-learning symbolic-math symbolic-regression multi-modal-learning representation-learning

Created 2024-01-07

33 commits to main branch, last one 5 months ago

DeepZero OPTML-Group

8

52

mit

1

[ICLR'24] "DeepZero: Scaling up Zeroth-Order Optimization for Deep Model Training" by Aochuan Chen*, Yimeng Zhang*, Jinghan Jia, James Diffenderfer, Jiancheng Liu, Konstantinos Parasyris, Yihua Zhang,...

ai4science blackbox-optimization efficient-deep-learning zeroth-order-optimization

Created 2023-11-01

13 commits to main branch, last one 5 months ago