Anton Bushuiev's Projects
Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
Working with molecular structures in pandas DataFrames
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
Protein Graph Library
MassSpecGym: A benchmark for the discovery and identification of molecules
Encoding MS/MS spectra using formula transformers for inferring molecular properties
Mutation utilities for protein design
Learning to design protein-protein interactions with enhanced generalization (ICLR24)
Dataset and package for working with protein-protein interactions in 3D
Official repository for the ProteinGym benchmarks
Tensors and Dynamic neural networks in Python with strong GPU acceleration
Graph Neural Network Library for PyTorch
:mountain: Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
Repository for B0M36SPJ
scikit-learn: machine learning in Python
Copy from https://github.com/NVIDIA/DeepLearningExamples
SuperGlue: Learning Feature Matching with Graph Neural Networks (CVPR 2020, Oral)