Awesome Open Source
Search
Programming Languages
Languages
All Categories
Categories
About
Search results for molecular structures
molecular-structures
x
22 search results found
Biopandas
⭐
673
Working with molecular structures in pandas DataFrames
Ngl
⭐
649
WebGL protein viewer
Relion
⭐
400
Image-processing software for cryo-electron microscopy
Lightdock
⭐
234
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Stk
⭐
214
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
P2rank
⭐
193
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.
Gemmi
⭐
180
macromolecular crystallography library and utilities
Ani1_dataset
⭐
71
A data set of 20 million calculated off-equilibrium conformations for organic molecules
Sirius
⭐
66
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)
Pycontact
⭐
34
Analysis of non-covalent interactions in MD trajectories
Pre Training Via Denoising
⭐
29
Official implementation of pre-training via denoising for TorchMD-NET
Architector
⭐
24
The architector python package - for 3D organometallic complex design. C22085
Stk Vis
⭐
23
A cross-platform application for visualization of molecular databases.
Molecular Vae
⭐
19
Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
Glados
⭐
18
New Web Interface for ChEMBL @ EMBL-EBI
React Ngl
⭐
14
React wrapper for ngl
Moly
⭐
12
Molecular Visualization powered by Plotly
P5 Hackamol
⭐
12
Object-Oriented Perl 5, Moose Library for Molecular Hacking
Easypymol
⭐
9
Script to facilitate the making of horizontal scripts
Mol Draw
⭐
8
A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
Molecule_bond_prediction
⭐
8
Predict scalar coupling in molecules
Samsung Ai Challenge For Scientific Discovery
⭐
6
🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
Related Searches
Molecule Molecular Structures (14)
Python Molecular Structures (13)
Chemistry Molecular Structures (8)
Cheminformatics Molecular Structures (6)
Protein Molecular Structures (6)
1-22 of 22 search results
Privacy
|
About
|
Terms
|
Follow Us On Twitter
Copyright 2018-2024 Awesome Open Source. All rights reserved.