Alternatives and similar repositories for CGCNN_tutorial

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

• vxfung / MatDeepLearn_DOS
  MatDeepLearn for DOS prediction
  ☆24Updated 2 years ago
• vxfung / DOSnet
  ☆16Updated 3 years ago
• 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
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆94Updated this week
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆68Updated 3 weeks ago
• QuantumLab-ZY / HamEPC
  A machine learning workflow for calculating the electron-phonon coupling (EPC)
  ☆29Updated last month
• tobacco-mofs / tobacco_3.0
  ☆54Updated 4 years ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆61Updated 2 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆90Updated last year
• Xiaoxun-Gong / DeepH-E3
  ☆97Updated 2 years ago
• michaeldalverson / CrysTens
  ☆26Updated 10 months ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆52Updated last week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆81Updated this week
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆93Updated last week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆79Updated this week
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆34Updated 8 months ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆45Updated 3 weeks ago
• lrcfmd / ipcsp
  Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
  ☆48Updated 2 years ago
• penghao-xiao / Electrochemical-barrier
  ☆27Updated 2 years ago
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆37Updated 2 weeks ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆121Updated last week
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated last year
• BingqingCheng / cace
  ☆80Updated this week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆58Updated 2 weeks ago
• VASPsol / VASPsol
  ☆49Updated 2 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆102Updated last month
• atomly-materials-research-lab / GPTFF
  GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
  ☆55Updated 3 months ago