Image-processing software for cryo-electron microscopy
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Updated
Jun 20, 2024 - C++
Image-processing software for cryo-electron microscopy
WebGL protein viewer
Working with molecular structures in pandas DataFrames
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
macromolecular crystallography library and utilities
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
A data set of 20 million calculated off-equilibrium conformations for organic molecules
SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
Script to facilitate the making of horizontal scripts
Analysis of non-covalent interactions in MD trajectories
Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
Official implementation of pre-training via denoising for TorchMD-NET
React wrapper for ngl
A collection of molecular optimisers and property calculators for use with stk.
🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
Object-Oriented Perl 5, Moose Library for Molecular Hacking
The architector python package - for 3D metal complex design. C22085
Predict scalar coupling in molecules
Web Interface for ChEMBL @ EMBL-EBI
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