Alternatives and similar repositories for PORMAKE

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

• tobacco-mofs / tobacco_3.0
  ☆54Updated 4 years ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆55Updated 5 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• 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 …
  ☆18Updated 3 years ago
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆37Updated last year
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• BingqingCheng / cace
  ☆77Updated 3 weeks ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆48Updated 3 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆57Updated 2 months ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆53Updated 2 weeks ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆59Updated 2 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆56Updated this week
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 9 months ago
• snurr-group / gRASPA
  GPU Monte Carlo Simulation Code with a taste of RASPA
  ☆58Updated last month
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated 11 months ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆42Updated this week
• michaeldalverson / CrysTens
  ☆24Updated 9 months ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆79Updated last year
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆76Updated 2 weeks ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• mtap-research / PACMAN-charge
  ☆21Updated last month
• zhaoqy1996 / YARP
  ☆43Updated 2 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆52Updated last year
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• uowoolab / MEPO-ML
  A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.
  ☆13Updated 8 months ago
• usccolumbia / AlphaCrystal
  AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
  ☆10Updated last year
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 6 months ago