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Search results for pytorch protein structure

protein-structure x

19 search results found

Openfold ⭐ 2,235

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Graphein ⭐ 932

Protein Graph Library

Fastfold ⭐ 485

Optimizing AlphaFold Training and Inference on GPU Clusters

Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.

Uni Fold ⭐ 320

An open-source platform for developing protein models beyond AlphaFold.

Deep generative models of 3D grids for structure-based drug discovery

Protein Sequence Embedding Iclr2019 ⭐ 203

Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019

Openprotein ⭐ 161

A PyTorch framework for prediction of tertiary protein structure

Opencomplex ⭐ 130

Trainable PyTorch framework for developing protein, RNA and complex models.

Proteinworkshop ⭐ 93

Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models and training/task utilities.

Geometric deep learning method to predict protein binding interfaces from a protein structure.

Deepaccnet ⭐ 40

Pytorch/Python3 implementation of DeepAccNet, protein model accuracy evaluator.

Geometric Vector Perceptron ⭐ 29

Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pytorch. Idea proposed and accepted at ICLR 2021

Protein Transformer ⭐ 25

Predicting protein structure through sequence modeling

Pytorch Rgn ⭐ 19

Recurrent Geometric Network in Pytorch

A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and checking the druggability with fpocket/Amber.

Equivariant Nn Zoo ⭐ 10

A library for building equivariant neural networks and a zoo of implementations & examples.

Pointsite ⭐ 5

PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms

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