Alternatives and similar repositories for ACT

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

• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆84Updated 2 months ago
• KULL-Centre / CALVADOS
  ☆71Updated 3 months ago
• samplchallenges / SAMPL8
  Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
  ☆25Updated 3 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆60Updated last week
• Psivant / stormm
  STORMM: Structure and TOpology Replica Molecular Mechanics
  ☆80Updated 2 weeks ago
• KMNitesh05 / GROMACS_tutorial
  ☆40Updated 2 years ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆87Updated 2 years ago
• pstansfeld / MemProtMD
  ☆45Updated 4 months ago
• LBC-LNBio / pyKVFinder
  pyKVFinder: Python-C parallel KVFinder
  ☆26Updated last week
• log-md / logmd
  ☆63Updated 5 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆52Updated 3 months ago
• RUBi-ZA / MD-TASK
  Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
  ☆51Updated 3 months ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆49Updated last week
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆78Updated 5 months ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆62Updated 4 months ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆55Updated 3 years ago
• yiqichenshallwetalk / FEP-on-GPU-Workflow
  ☆27Updated 3 months ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆59Updated 7 years ago
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 5 years ago
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆39Updated last year
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆62Updated 8 months ago
• samuelmurail / gromacs_py
  Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…
  ☆49Updated 3 years ago
• JacksonBurns / chemeleon
  CheMeleon Descriptor-based Foundation Model
  ☆90Updated last week
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆47Updated 4 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆76Updated last year
• paulrobustelli / Force-Fields
  Force Fields
  ☆65Updated 8 months ago
• Honza-R / PL-REX
  Data set of protein-ligand complexes with reliable experimental structures and affinities
  ☆42Updated 7 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆66Updated last month
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆84Updated last week
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆44Updated 2 years ago