31 results found Sort:
- Filter by Primary Language:
- Python (19)
- Jupyter Notebook (3)
- MATLAB (1)
- +
A one-stop, open-source, high-quality data extraction tool, supports PDF/webpage/e-book extraction.一站式开源高质量数据提取工具,支持PDF/网页/多格式电子书提取。
Created
2024-02-29
1,654 commits to master branch, last one 19 hours ago
Graphormer is a general-purpose deep learning backbone for molecular modeling.
Created
2021-05-27
77 commits to main branch, last one 5 months ago
A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery (EMNLP'24)
Created
2024-01-05
87 commits to main branch, last one 13 days ago
🏆 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
392 commits to main branch, last one 12 days ago
PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
Created
2021-11-09
1,374 commits to develop branch, last one 20 hours ago
Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024
Created
2023-06-05
49 commits to main branch, last one 5 months ago
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
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
Created
2023-05-21
62 commits to main branch, last one 3 months ago
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Created
2023-06-07
9 commits to main branch, last one about a year ago
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.
Created
2023-03-16
212 commits to main branch, last one 17 days ago
List of Geometric GNNs for 3D atomic systems
Created
2023-08-31
37 commits to main branch, last one 8 months ago
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
Created
2024-02-13
9 commits to main branch, last one 6 months ago
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
Created
2023-07-01
375 commits to main branch, last one 24 days ago
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
Created
2022-02-22
21 commits to main branch, last one 4 months ago
The official code for "TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation"
Created
2024-02-26
54 commits to main branch, last one 2 months ago
Must-read papers on NLP for science.
Created
2022-09-16
22 commits to main branch, last one about a year ago
[NeurIPS 2023] This is the official code for the paper "TPSR: Transformer-based Planning for Symbolic Regression"
Created
2023-10-09
86 commits to main branch, last one 2 days ago
ChatCell: Facilitating Single-Cell Analysis with Natural Language
Created
2023-12-19
170 commits to main branch, last one 8 months ago
ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
Created
2022-07-22
28 commits to master branch, last one about a month ago
[ICLR 2024 Spotlight] This is the official code for the paper "SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training"
Created
2024-01-07
33 commits to main branch, last one 15 days ago
This repository has no description...
Created
2023-02-05
5 commits to main branch, last one 3 months ago
[KDD 2024] Papers about deep learning in epidemic modeling.
Created
2024-04-11
17 commits to main branch, last one about a month ago
[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,...
Created
2023-11-01
13 commits to main branch, last one 28 days ago
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
Created
2023-04-28
6 commits to master branch, last one 3 months ago
A curated list of awesome AI and Bioinformatics.
Created
2022-08-28
92 commits to master branch, last one about a year ago
Uncover meaningful structures of latent spaces learned by generative models with flows!
Created
2024-04-29
26 commits to main branch, last one 6 months ago
This is the official repo for the paper "LLM-SR" on Scientific Equation Discovery and Symbolic Regression with Large Language Models
Created
2024-04-19
27 commits to main branch, last one 13 days ago
[AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
Created
2022-05-26
20 commits to main branch, last one about a month ago
The official code for "Deep peak property learning for efficient chiral molecules ECD spectra prediction"
Created
2024-01-05
21 commits to main branch, last one 4 months ago
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
Created
2023-08-07
20 commits to main branch, last one 11 months ago