colormeblue1013's Stars
yjw1029/Efficient-FedRec
Efficient-FedRec: Efficient Federated Learning Framework for Privacy-Preserving News Recommendation
gcorso/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
a-r-j/graphein
Protein Graph Library
lishuya17/MONN
MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins
pharmai/plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
FedML-AI/FedML
FEDML - The unified and scalable ML library for large-scale distributed training, model serving, and federated learning. FEDML Launch, a cross-cloud scheduler, further enables running any AI jobs on any GPU cloud or on-premise cluster. Built on this library, TensorOpera AI (https://TensorOpera.ai) is your generative AI platform at scale.
wuch15/FedKD
Codes for FedKD
datamol-io/datamol
Molecular Processing Made Easy.
sarpaykent/GBPNet
Pymol-Scripts/Pymol-script-repo
Collected scripts for Pymol
phermosilla/IEConv_proteins
Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
luwei0917/TankBind
Open source code for TankBind. Galixir Tenchnologies
tatp22/multidim-positional-encoding
An implementation of 1D, 2D, and 3D positional encoding in Pytorch and TensorFlow
SongtaoLiu0823/LAGNN
[ICML 2022] Local Augmentation for Graph Neural Networks
blondegeek/e3nn
A modular framework for neural networks with Euclidean symmetry
patrick-kidger/torchtyping
Type annotations and dynamic checking for a tensor's shape, dtype, names, etc.
agave233/SIGN
Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD 2021)
The-Run-Philosophy-Organization/run
润学全球官方指定GITHUB,整理润学宗旨、纲领、理论和各类润之实例;解决为什么润,润去哪里,怎么润三大问题; 并成为新**人的核心宗教,核心信念。
rusty1s/himp-gnn
Hierarchical Inter-Message Passing for Learning on Molecular Graphs
wehos/awesome-graph-transformer
Papers about graph transformers.
drorlab/gert
Saro00/DGN
Implementation of Directional Graph Networks in PyTorch and DGL
pachterlab/gget
🧬 gget enables efficient querying of genomic reference databases
inria-thoth/GraphiT
Official Pytorch Implementation of GraphiT
graphdeeplearning/graphtransformer
Graph Transformer Architecture. Source code for "A Generalization of Transformer Networks to Graphs", DLG-AAAI'21.
cptq/SignNet-BasisNet
SignNet and BasisNet
jw9730/tokengt
[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch
biolists/folding_tools
A collection of *fold* tools
vijaydwivedi75/lrgb
Long Range Graph Benchmark, NeurIPS 2022 Track on D&B
probml/pml2-book
Probabilistic Machine Learning: Advanced Topics