Alternatives and similar repositories for RASPA_tools

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

• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆19Updated 3 years ago
• mtap-research / PACMAN-charge
  ☆21Updated 2 months ago
• uowoolab / MEPO-ML
  A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.
  ☆13Updated last week
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆53Updated 2 weeks ago
• yuanyue-liu-group / CP-VASP
  ☆44Updated 8 months ago
• haoyuanchen / RASPA-tools
  A collection of tools I created related to the molecular simulations package RASPA.
  ☆11Updated last year
• tobacco-mofs / tobacco_3.0
  ☆54Updated 4 years ago
• Yangxinsix / painn-sli
  This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…
  ☆22Updated last year
• penghao-xiao / Electrochemical-barrier
  ☆27Updated 2 years ago
• lipelopesoliveira / ForceFields
  A repository to hold forcefields for molecular mechanics calculations with RASPA
  ☆14Updated 3 months ago
• michaeldalverson / CrysTens
  ☆26Updated 10 months ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆32Updated 3 months ago
• QuantumMisaka / dpeva
  Deep Potential Evolution Accelerator
  ☆17Updated this week
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆29Updated this week
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated last year
• Wang-Group / Machine-learning-for-Cu-CO2RR
  This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…
  ☆7Updated 2 years ago
• Yanggang-Wang-Group / CPTI
  a workflow to do constant potential thermodynamic integration in VASP
  ☆11Updated 6 months ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• cc-ats / mlp_tutorial
  ☆29Updated last year
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆61Updated 2 years ago
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆31Updated 2 months ago
• VASPsol / VASPsol
  ☆51Updated 2 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆68Updated last month
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆61Updated this week
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆34Updated 8 months ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆54Updated last month
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated 4 months ago
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆11Updated last year
• dptech-corp / Uni-MOF
  ☆27Updated last year