26 results found Sort:

microsoft
Graphormer microsoft
323
2.0k
mit
30
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 about a month ago
yuzhimanhua
Awesome-Scientific-Language-Models yuzhimanhua
19
360
mit
9
A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery
ai4science large-language-models pre-trained-language-models
Created 2024-01-05
79 commits to main branch, last one 7 days ago
JuDFTteam
best-of-atomistic-machine-learning JuDFTteam
19
266
cc-by-sa-4.0
4
🏆 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
283 commits to main branch, last one a day ago
PaddlePaddle
PaddleScience PaddlePaddle
132
244
apache-2.0
19
PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
ai4science paddlepaddle deep-learning machine-learning supervised-learning self-supervised-learning
Created 2021-11-09
1,321 commits to develop branch, last one 22 hours ago
davendw49
k2 davendw49
14
156
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 21 days ago
chao1224
Geom3D chao1224
9
105
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 10 months ago
ChemFoundationModels
ChemLLMBench ChemFoundationModels
5
101
unknown
1
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
61 commits to main branch, last one 3 months ago
patrick-tssn
Awesome-Colorful-LLM patrick-tssn
6
98
mit
5
Recent advancements propelled by large language models (LLMs), encompassing an array of domains including Vision, Audio, Agent, Robotics, and Fundamental Sciences such as Mathematics.
llm agent robotics ai4science multimodal awesome-list vision-and-language large-language-models
Created 2023-03-16
190 commits to main branch, last one 7 days ago
shengchaochen82
Awesome-Foundation-Models-for-Weather-and-Climate shengchaochen82
14
94
unknown
2
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
35 commits to main branch, last one about a month ago
AlexDuvalinho
geometric-gnns AlexDuvalinho
6
82
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 3 months ago
hanjq17
GMN hanjq17
7
56
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
20 commits to main branch, last one 9 months ago
zjunlp
NLP4SciencePapers zjunlp
5
50
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
OSU-NLP-Group
LLM4Chem OSU-NLP-Group
2
47
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 about a month ago
chiang-yuan
llamp chiang-yuan
3
43
other
0
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
367 commits to main branch, last one 17 days ago
HongxinXiang
ImageMol HongxinXiang
26
41
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
23 commits to master branch, last one 8 months ago
zjunlp
ChatCell zjunlp
8
39
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 4 months ago
PKU-YuanGroup
TaxDiff PKU-YuanGroup
5
39
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
48 commits to main branch, last one 3 months ago
deep-symbolic-mathematics
TPSR deep-symbolic-mathematics
9
38
mit
4
[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
75 commits to main branch, last one 5 months ago
HongxinXiang
awesome-ai-bioinformatics HongxinXiang
13
37
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
deep-symbolic-mathematics
Multimodal-Math-Pretraining deep-symbolic-mathematics
3
36
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
27 commits to main branch, last one 19 days ago
chao1224
ProteinDT chao1224
4
34
mit
6
This repository has no description...
llm protein ai4science drug-design protein-design protein-editing foundation-model protein-sequence protein-structure large-language-model
Created 2023-02-05
2 commits to main branch, last one 3 months ago
pengxingang
MolDiff pengxingang
9
34
mit
6
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
ai4science diffusion-models molecule-generation
Created 2023-04-28
4 commits to master branch, last one 11 months ago
jiaor17
3D-EMGP jiaor17
7
31
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
18 commits to main branch, last one 2 months ago
HowardLi1984
ECDFormer HowardLi1984
0
27
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
21 commits to main branch, last one 13 days ago
OPTML-Group
DeepZero OPTML-Group
3
27
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
12 commits to main branch, last one 3 months ago
Emory-Melody
awesome-epidemic-modeling-papers Emory-Melody
1
25
unknown
1
[KDD 2024] Papers about deep learning in epidemic modeling.
ai4science deep-learning epidemic-model machine-learning graph-neural-networks
Created 2024-04-11
14 commits to main branch, last one a day ago