Alternatives and similar repositories for Colabs

Users that are interested in Colabs are comparing it to the libraries listed below

• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆96Updated 2 years ago
• ingcoder / unomd
  Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.
  ☆162Updated last month
• MolecularAI / deep-molecular-optimization
  Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
  ☆149Updated 2 years ago
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆142Updated 6 months ago
• rcsb / py-rcsb-api
  Python interface for RCSB.org API services
  ☆48Updated 2 weeks ago
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated last month
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆90Updated 2 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆105Updated last year
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆127Updated 2 years ago
• mwojcikowski / smina
  ☆125Updated 6 years ago
• tiwarylab / alphafold2rave
  ☆68Updated last year
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆65Updated this week
• czodrowskilab / VSFlow
  ☆93Updated 6 months ago
• mirabdi / PDAnalysis
  ☆32Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆52Updated 2 months ago
• rcsb / py-rcsbsearchapi
  Python interface for the RCSB PDB search API.
  ☆64Updated 5 months ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆78Updated 3 years ago
• RUBi-ZA / MD-TASK
  Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
  ☆50Updated 3 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆122Updated 2 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆89Updated 2 years ago
• CBDD / rDock
  rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…
  ☆58Updated 6 months ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆84Updated 2 weeks ago
• huhlim / alphafold-multistate
  ☆42Updated last year
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆115Updated 2 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆27Updated last week
• jproney / AF2Rank
  ☆112Updated 2 years ago
• dptech-corp / Uni-GBSA
  An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…
  ☆113Updated 9 months ago
• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆107Updated 11 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆128Updated this week
• KULL-Centre / CALVADOS
  ☆69Updated 2 months ago