anton-bushuiev Goto Github PK

anton-bushuiev

arctic3d

Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information

biopandas

Working with molecular structures in pandas DataFrames

distributed-max-bipartite-subgraph

equiformer-pytorch

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

geoppi-plus-plus

graphein

Protein Graph Library

mist

Encoding MS/MS spectra using formula transformers for inferring molecular properties

mupipr

mutils

Mutation utilities for protein design

mutils-iclr2024-rebuttal-

ppiformer

Learning to design protein-protein interactions with enhanced generalization (ICLR24)

ppiformer-iclr2024-rebuttal

ppiref

Dataset and utilities for working with protein-protein interactions in 3D

ppiref-iclr2024-rebuttal

proteingym

Official repository for the ProteinGym benchmarks

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

pytorch_geometric

Graph Neural Network Library for PyTorch

rde-ppi

:mountain: Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)

scientific-programming-in-julia

Repository for B0M36SPJ

scikit-learn

scikit-learn: machine learning in Python

se3transformer

Copy from https://github.com/NVIDIA/DeepLearningExamples

supergluepretrainednetwork

SuperGlue: Learning Feature Matching with Graph Neural Networks (CVPR 2020, Oral)