jinzhuwei's Stars
kuleshov-group/caduceus
Bi-Directional Equivariant Long-Range DNA Sequence Modeling
MolecularAI/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
chenruduan/OAReactDiff
An object-aware diffusion model for generating chemical reactions
HICAI-ZJU/PromptProtein
Code and Data for the paper: Multi-level Protein Structure Pre-training with Prompt Learning [ICLR 2023]
wkumler/RaMS
R-based access to Mass-Spectrometry data
GraphPKU/PygHO
A library for subgraph GNN based on pyg
Shen-Lab/DeepAffinity
Protein-compound affinity prediction through unified RNN-CNN
zjunlp/MolGen
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
smsharma/eqnn-jax
Annotated implementations of equivariant graph neural networks in Jax: EGNN, SEGNN, NequIP.
torchmd/torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
mlederbauer/awesome-learning-digital-chemistry
a curated list of resources for everyone interested in learning about digital chemistry
yryMax/Neural-Graph-Generator
Neural Graph Generator: Feature-Conditioned Graph Generation using Latent Diffusion Models
junxia97/Mole-BERT
[ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
jw9730/hot
[NeurIPS'21] Higher-order Transformers for sets, graphs, and hypergraphs, in PyTorch
acbull/pyHGT
Code for "Heterogeneous Graph Transformer" (WWW'20), which is based on pytorch_geometric
seongjunyun/Graph_Transformer_Networks
Graph Transformer Networks (Authors' PyTorch implementation for the NeurIPS 19 paper)
adapter-hub/adapters
A Unified Library for Parameter-Efficient and Modular Transfer Learning
yangqy1110/Diffusion-Models
扩散模型原理和pytorch代码实现初学资料汇总
AlgoMole/MolFM
Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
AlgoMole/GeoBFN
Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
facebookresearch/DiT
Official PyTorch Implementation of "Scalable Diffusion Models with Transformers"
AmeenAli/HiddenMambaAttn
Official PyTorch Implementation of "The Hidden Attention of Mamba Models"
kyegomez/Gamba
Implementation of PyTorch: "GAMBA: MARRY GAUSSIAN SPLATTING WITH MAMBA FOR SINGLE-VIEW 3D RECONSTRUCTION"
Carmenw1203/DanceCamera3D-Official
DanceCamera3D: 3D Camera Movement Synthesis with Music and Dance. [CVPR 2024] Official PyTorch implementation
programmablebio/ptm-mamba
rociomer/dl-chem-101
Example implementations of common machine learning projects in chemistry.
BoHuangLab/Protein-Localization-Transformer
Code for CELL-E: Biological Zero-Shot Text-to-Image Synthesis for Protein Localization Prediction
yangkky/Machine-learning-for-proteins
Listing of papers about machine learning for proteins.
uw-ipd/RoseTTAFold2NA
RoseTTAFold2 protein/nucleic acid complex prediction
divnori/rnaflow
RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching