Alternatives and similar repositories for compute_fep:

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

• paduagroup / clandp
  Force field for ionic liquids
  ☆63Updated 9 months ago
• fgrunewald / Martini_PolyPly
  Tool for generating MARTINI Polymer itps and structures
  ☆15Updated 4 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 8 months ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆78Updated last year
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆35Updated 10 months ago
• orlandoacevedo / DES
  Deep eutectic solvent force field parameters (OPLS-DES)
  ☆14Updated 2 years ago
• Iourarum / GOPY
  ☆27Updated 2 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 7 years ago
• mme-ucl / CmuMD
  CmuMD implementation for PLUMED2
  ☆16Updated last year
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆49Updated last year
• simongravelle / gromacs-input-files
  GROMACS input files
  ☆19Updated last year
• tobacco-mofs / tobacco_3.0
  ☆53Updated 4 years ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆53Updated this week
• Isra3l / ligpargen
  ☆63Updated 4 months ago
• tommason14 / modified_polymatic
  ☆12Updated 2 years ago
• CMMRLab / LUNAR
  ☆34Updated 3 weeks ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 3 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• leelasd / OPLSAA-DB
  Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…
  ☆33Updated 6 years ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆56Updated this week
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆36Updated 2 weeks ago
• paduagroup / tutorial-lmp
  Running a molecular simulation with the polarizable force field in LAMMPS
  ☆19Updated 2 years ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆76Updated 2 months ago
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆17Updated 10 months ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆31Updated 2 years ago
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆41Updated 2 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 3 years ago
• zhaoqy1996 / YARP
  ☆43Updated 2 years ago