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6 search results found

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

Mdtoolbox.jl ⭐ 19

MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules

Mdtoolbox ⭐ 15

MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories

Popscomp ⭐ 11

Solvent Accessible Surface Areas of Biomolecules and their Complexes

A bare metal Python library for building and manipulating protein molecular structures

Manifoldem_python ⭐ 8

ManifoldEM Python suite

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