mme-ucl / CmuMD

Related projects ⓘ

Alternatives and complementary repositories for CmuMD

• simongravelle / pyplot-perso
  Personal functions for making Pyplot Python figures
  ☆10Updated last month
• CMMRLab / LUNAR
  ☆21Updated last week
• jag1g13 / pdb2lmp
  Convert PDB files to LAMMPS data and force field files.
  ☆18Updated 7 years ago
• paduagroup / tutorial-lmp
  Running a molecular simulation with the polarizable force field in LAMMPS
  ☆15Updated last year
• mtap-research / PACMAN-charge
  ☆15Updated last month
• Iourarum / GOPY
  ☆24Updated last year
• simongravelle / gromacs-input-files
  GROMACS input files
  ☆15Updated last year
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆35Updated last year
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆15Updated 5 months ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆35Updated 2 weeks ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆18Updated 7 years ago
• mz8879813 / LammpsPostprocessing
  Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data
  ☆12Updated 5 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆53Updated 3 months ago
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆16Updated 5 months ago
• velocirobbie / make-graphitics
  ☆39Updated 4 years ago
• iRASPA / RUPTURA
  ☆28Updated 5 months ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆19Updated 3 years ago
• m-bone / AutoMapper
  A package of tools for automating the file preparation for the LAMMPS fix bond/react.
  ☆15Updated 2 years ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated 5 months ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆27Updated 5 years ago
• st4sd / nanopore-adsorption-experiment
  Uses the RASPA software package to simulate adsorption isotherms on nanoporous materials.
  ☆10Updated last year
• by-student-2017 / lammps_education_reaxff_win
  ☆33Updated 3 weeks ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆55Updated 4 months ago
• emmhald / open_metal_detector
  ☆26Updated 2 years ago
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆37Updated this week
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆70Updated 11 months ago
• iRASPA / RASPA3
  This software is a general purpose classical simulation package.
  ☆46Updated 2 weeks ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆46Updated 2 months ago
• tobacco-mofs / tobacco_3.0
  ☆48Updated 3 years ago
• orlandoacevedo / DES
  Deep eutectic solvent force field parameters (OPLS-DES)
  ☆12Updated 2 years ago