anton-bushuiev

anton-bushuiev

data-repo_plm-finetune-eval

Data repository for "Fine-tuning protein language models boosts predictions across diverse tasks"

MassSpecGym

MassSpecGym: A benchmark for the discovery and identification of molecules

mutils

Mutation utilities for protein design

PPIformer

Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)

PPIRef

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

ProteinTTT

Training on test proteins improves fitness, structure, and function prediction

SE3Transformer

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

DreaMS

DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)

MassSpecGym

MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)

anton-bushuiev/PPIRef

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

anton-bushuiev/PPIformer

Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)

anton-bushuiev/ProteinTTT

Training on test proteins improves fitness, structure, and function prediction

anton-bushuiev/mutils

Mutation utilities for protein design

anton-bushuiev/SE3Transformer

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

anton-bushuiev/MassSpecGym

MassSpecGym: A benchmark for the discovery and identification of molecules

anton-bushuiev/data-repo_plm-finetune-eval

Data repository for "Fine-tuning protein language models boosts predictions across diverse tasks"

anton-bushuiev/anton-bushuiev

anton-bushuiev/arctic3d

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

anton-bushuiev/biopandas

Working with molecular structures in pandas DataFrames

anton-bushuiev/DiGress

code for the paper "DiGress: Discrete Denoising diffusion for graph generation"

anton-bushuiev/distributed-max-bipartite-subgraph

anton-bushuiev/equiformer-pytorch

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

anton-bushuiev/esm

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

anton-bushuiev/GeoPPI-plus-plus

anton-bushuiev/graphein

Protein Graph Library

anton-bushuiev/MuPIPR

anton-bushuiev/pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

anton-bushuiev/pytorch_geometric

Graph Neural Network Library for PyTorch

anton-bushuiev/RDE-PPI

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

anton-bushuiev/DreaMS

DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)

anton-bushuiev/flex_ddG_tutorial

anton-bushuiev/mist

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

anton-bushuiev/mutils-ICLR2024-rebuttal-

anton-bushuiev/PPIformer-ICLR2024-rebuttal

anton-bushuiev/PPIRef-ICLR2024-rebuttal

anton-bushuiev/Scientific-Programming-in-Julia

Repository for B0M36SPJ

anton-bushuiev/scikit-learn

scikit-learn: machine learning in Python

anton-bushuiev/SuperGluePretrainedNetwork

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