MelchorSanchez

MelchorSanchez's Stars

• tekpinar/correlationplus

  A Python package to calculate, visualize and analyze correlation maps of proteins.

  Language:Python398

• awslabs/dgl-lifesci

  Python package for graph neural networks in chemistry and biology

  Language:Python719149

• Laboratoire-de-Chemoinformatique/Synt-On

  Open-source tool for synthons-based library design.

  Language:Python6823

• learningmatter-mit/peptimizer

  Peptide optimization with Machine Learning

  Language:Jupyter Notebook6824

• forlilab/Meeko

  Interfacing RDKit and AutoDock

  Language:Python20048

• chemosim-lab/ProLIF

  Interaction Fingerprints for protein-ligand complexes and more

  Language:Python36869

• AngelRuizMoreno/Jupyter_Dock

  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

  Language:Jupyter Notebook25867

• LLNL/MemSurfer

  MemSurfer is a software tool to compute bilayer membrane surfaces.

  Language:C++249

• mims-harvard/TDC

  Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science

  Language:Jupyter Notebook1k174

• life4/textdistance

  📐 Compute distance between sequences. 30+ algorithms, pure python implementation, common interface, optional external libs usage.

  Language:Python3.4k250

• duartegroup/autodE

  automated reaction profile generation

  Language:Python17152

• 3dmol/3Dmol.js

  WebGL accelerated JavaScript molecular graphics library

  Language:Jupyter Notebook803194

• wells-wood-research/BAlaS

  Source code for the BUDE Alanine Scan web application.

  Language:Elm93

• judyboon/drugCIPHER

  A linear regression framework to predict drug target

  Language:Matlab4

• IanAWatson/Lilly-Medchem-Rules

  Implementation of Lilly Medchem Rules - J Med Chem 2012

  Language:C++8229

• Faezov/PDBrenum

  Language:Jupyter Notebook276

• OpenChemistry/avogadroapp

  Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

  Language:C++18571

• reymond-group/MLpeptide

  Machine Learning Designs Non-Hemolytic Antimicrobial Peptides

  Language:Jupyter Notebook308

• ccsb-scripps/AutoDock-Vina

  AutoDock Vina

  Language:C++605212

• NIEHS/OPERA

  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.

  Language:MATLAB7220

• Mishima-syk/psikit

  psi4+RDKit

  Language:Python9619

• BioPandas/biopandas

  Working with molecular structures in pandas DataFrames

  Language:Python710121

• bioexcel/biobb_md

  Biobb_md is the Biobb module collection to perform molecular dynamics simulations.

  Language:Python73

• czodrowskilab/VSFlow

  Language:Python8319

• deGrootLab/pmx

  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

  Language:Python13249

• drorlab/GPCR-mining

  Functions to scrape GPCR data from the web.

  Language:Python162

• bbarad/bbarad.github.io

  Personal Webpage

  Language:HTML1126

• pamoroso/free-python-books

  Python books free to read online or download

  4.8k664

• mgalardini/chembl_tools

  Small scripts to make the most of the ChEMBL API

  Language:Python92

• chembl/chembl_webresource_client

  Official Python client for accessing ChEMBL API

  Language:Python37695