Anton Bushuiev's repositories
MassSpecGym
MassSpecGym: A benchmark for the discovery and identification of molecules
SE3Transformer
Copy from https://github.com/NVIDIA/DeepLearningExamples
arctic3d
Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
biopandas
Working with molecular structures in pandas DataFrames
DiGress
code for the paper "DiGress: Discrete Denoising diffusion for graph generation"
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
graphein
Protein Graph Library
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)
DreaMS
DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)
mist
Encoding MS/MS spectra using formula transformers for inferring molecular properties
Scientific-Programming-in-Julia
Repository for B0M36SPJ
scikit-learn
scikit-learn: machine learning in Python
SuperGluePretrainedNetwork
SuperGlue: Learning Feature Matching with Graph Neural Networks (CVPR 2020, Oral)