Here are
37 public repositories
matching this topic...
Updated
Jul 27, 2020
TypeScript
Working with molecular structures in pandas DataFrames
Updated
Jun 14, 2020
HTML
Image-processing software for cryo-electron microscopy
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design.
Updated
Jul 30, 2020
Python
macromolecular crystallography library and utilities
A data set of 20 million calculated off-equilibrium conformations for organic molecules
Updated
Jun 5, 2018
Python
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
New Web Interface for ChEMBL @ EMBL-EBI
Updated
Jul 22, 2020
JavaScript
Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
Updated
Apr 6, 2020
Jupyter Notebook
Object-Oriented Perl 5, Moose Library for Molecular Hacking
Updated
Apr 12, 2019
Perl
Analysis of non-covalent interactions in MD trajectories
Updated
May 30, 2020
Python
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)
Updated
Jun 22, 2020
Java
Predict scalar coupling in molecules
Updated
Jan 28, 2020
Python
Molecular Visualization powered by Plotly
Updated
Jul 16, 2020
Python
A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
Updated
Jul 29, 2020
PureScript
Predicting Protein – Ligand Interaction by using Deep Learning Models
Updated
Nov 13, 2018
Jupyter Notebook
A set of tools for the acquisition and analysis of biological data.
Updated
May 15, 2018
Python
Molecular viewer [Work in progress]
Updated
Apr 26, 2020
Python
Script to facilitate the making of horizontal scripts
Updated
Oct 4, 2018
Python
UCSF Chimera extension to explore and analyze GaudiMM & GOLD solutions
Updated
Apr 16, 2020
Python
Tools for exploration and analysis of biochemical data like genomics and proteins
Conversion of Protein Data Bank (PDB) structures for 3D printing
Updated
Feb 25, 2017
Python
Collection scripts and workflows for data analysis on screening
Open source molecular dynamics analysis tools for GROMACS
Updated
Mar 13, 2020
Shell
Folder containing the analysis code in C++/Python in MARTINI or SDK
Updated
Jun 5, 2020
Python
MSP - Molecular Structure Predictor
Updated
Apr 30, 2020
JavaScript
Responsive web app that returns possible structures isomers for an organic molecule.
Updated
Apr 23, 2020
JavaScript
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