Alternatives and similar repositories for M3-Sterol-Parameters

Users that are interested in M3-Sterol-Parameters are comparing it to the libraries listed below

• DrugBud-Suite / CADD_Vault
  ☆52Updated 4 months ago
• mqcomplab / PRIME
  protein structure prediction with precision
  ☆18Updated last year
• callumjd / AMBER-Membrane_protein_tutorial
  Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen
  ☆66Updated last year
• Gervasiolab / OpenBPMD
  ☆65Updated 2 years ago
• coleygroup / sparrow
  ☆53Updated 3 weeks ago
• maccallumlab / martini_openmm
  ☆54Updated 2 years ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆77Updated 2 years ago
• durrantlab / gypsum_dl
  Open-source tool to generate 3D-ready small molecules for virtual screening
  ☆59Updated 2 weeks ago
• paulrobustelli / Force-Fields
  Force Fields
  ☆64Updated 5 months ago
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆34Updated 3 weeks ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated 2 years ago
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆122Updated 2 months ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆59Updated 2 years ago
• mpurg / qtools
  a Python library and CLI for the molecular dynamics simulation package Q
  ☆20Updated last year
• freeenergylab / FEP-SPell-ABFE
  FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
  ☆69Updated 6 months ago
• recursionpharma / synflownet-boltz
  ☆41Updated 3 weeks ago
• bigginlab / ABFE_workflow
  This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
  ☆50Updated 3 months ago
• ingcoder / dock-prep
  Pipeline converting PDB files to docking-ready PDBQT format
  ☆20Updated 3 months ago
• PatWalters / TS
  Thompson Sampling
  ☆70Updated 2 months ago
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆89Updated last month
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆83Updated last week
• essex-lab / grand
  A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
  ☆72Updated 2 years ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆86Updated last year
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆71Updated 6 months ago
• emleddin / research-scripts
  Different run and analysis scripts as described in the research guides.
  ☆13Updated 3 years ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆49Updated 2 months ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆151Updated 2 weeks ago
• huichenggong / Learning-Computation-with-Chenggong
  ☆39Updated last year
• MDAnalysis / MDAnalysisMolSSIWorkshop-Intermediate2Day
  ☆12Updated last year
• mqcomplab / MDANCE
  MDANCE is a flexible n-ary clustering package for all applications.
  ☆69Updated 2 weeks ago