31 results found Sort:

opendatalab
MinerU opendatalab
1.3k
17.8k
agpl-3.0
97
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
1,745 commits to master branch, last one 2 days ago
microsoft
Graphormer microsoft
337
2.1k
mit
31
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 5 months ago
yuzhimanhua
Awesome-Scientific-Language-Models yuzhimanhua
27
489
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
89 commits to main branch, last one 8 days ago
JuDFTteam
best-of-atomistic-machine-learning JuDFTteam
38
398
cc-by-sa-4.0
10
🏆 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
399 commits to main branch, last one a day ago
PaddlePaddle
PaddleScience PaddlePaddle
177
289
apache-2.0
20
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
1,383 commits to develop branch, last one 2 days ago
shengchaochen82
Awesome-Foundation-Models-for-Weather-and-Climate shengchaochen82
23
176
unknown
5
A comprehesive survey about foundation models for weather and cliamte data understanding.
climate dataset weather ai4earth ai4science largemodel deep-learning climate-change machine-learning foundation-models weather-forecating weather-forecsating time-series-analysis large-language-models spatial-temporal-data representation-learning self-supervised-learning semi-supervised-learning spatial-temporal-forecasting weather-and-climate-understanding
Created 2023-11-13
40 commits to main branch, last one about a month ago
davendw49
k2 davendw49
15
171
apache-2.0
5
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 5 months ago
ChemFoundationModels
ChemLLMBench ChemFoundationModels
6
127
unknown
4
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 3 months ago
chao1224
Geom3D chao1224
10
113
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
patrick-tssn
Awesome-Colorful-LLM patrick-tssn
6
112
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
212 commits to main branch, last one about a month ago
AlexDuvalinho
geometric-gnns AlexDuvalinho
7
93
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 8 months ago
OSU-NLP-Group
LLM4Chem OSU-NLP-Group
8
66
mit
8
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 6 months ago
chiang-yuan
llamp chiang-yuan
10
65
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 about a month ago
hanjq17
GMN hanjq17
7
58
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 4 months ago
deep-symbolic-mathematics
TPSR deep-symbolic-mathematics
12
55
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 16 days ago
zjunlp
NLP4SciencePapers zjunlp
6
55
unknown
6
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
PKU-YuanGroup
TaxDiff PKU-YuanGroup
8
55
mit
5
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 3 months ago
deep-symbolic-mathematics
Multimodal-Math-Pretraining deep-symbolic-mathematics
5
47
mit
3
[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 29 days ago
zjunlp
ChatCell zjunlp
9
46
other
8
ChatCell: Facilitating Single-Cell Analysis with Natural Language
cell biology llm4bio chatcell ai4science single-cell bioinformatics interdisciplinary single-cell-analysis large-language-models artificial-intelligence natural-language-processing pre-trained-language-models
Created 2023-12-19
170 commits to main branch, last one 9 months ago
HongxinXiang
ImageMol HongxinXiang
26
46
mit
2
ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
pytorch ai4science deep-learning computer-vision molecular-modeling
Created 2022-07-22
28 commits to master branch, last one 2 months ago
Emory-Melody
awesome-epidemic-modeling-papers Emory-Melody
2
44
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 about a month ago
chao1224
ProteinDT chao1224
4
43
mit
6
A Text-guided Protein Design Framework, Nat Mach Intell 2024
llm protein ai4science drug-design protein-design protein-editing foundation-model protein-sequence protein-structure large-language-model
Created 2023-02-05
5 commits to main branch, last one 4 months ago
OPTML-Group
DeepZero OPTML-Group
5
43
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 about a month ago
deep-symbolic-mathematics
LLM-SR deep-symbolic-mathematics
4
41
mit
6
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
28 commits to main branch, last one 10 days ago
pengxingang
MolDiff pengxingang
8
40
mit
6
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
ai4science diffusion-models molecule-generation
Created 2023-04-28
6 commits to master branch, last one 4 months ago
HongxinXiang
awesome-ai-bioinformatics HongxinXiang
13
39
mit
1
A curated list of awesome AI and Bioinformatics.
awesome ai4science bioinformatics drug-discovery computer-science artificial-intelligence computer-aided-drug-design
Created 2022-08-28
92 commits to master branch, last one about a year ago
garywei944
ChemFlow garywei944
6
36
mit
3
Uncover meaningful structures of latent spaces learned by generative models with flows!
ai4science drug-discovery machine-learning optimal-transport
Created 2024-04-29
26 commits to main branch, last one 6 months ago
jiaor17
3D-EMGP jiaor17
7
33
mit
2
[AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
ai4science score-matching pre-trained-model equivariant-network graph-neural-networks self-supervised-learning
Created 2022-05-26
20 commits to main branch, last one 2 months ago
HowardLi1984
ECDFormer HowardLi1984
0
31
unknown
2
The official code for "Deep peak property learning for efficient chiral molecules ECD spectra prediction"
ai4science deep-learning ecd-spectra-prediction-for-molecules
Created 2024-01-05
22 commits to main branch, last one 5 days ago
EureKaZhu
DiffAffinity EureKaZhu
3
30
unknown
2
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
ai4science diffusion-models protein-protein-interaction
Created 2023-08-07
20 commits to main branch, last one 11 months ago