Alternatives and similar repositories for BAREFOOT-Framework

Users that are interested in BAREFOOT-Framework are comparing it to the libraries listed below

• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 4 years ago
• zhaoqy1996 / YARP
  ☆43Updated 2 years ago
• CMMRLab / LUNAR
  ☆39Updated 2 weeks ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated 11 months ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 3 years ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆57Updated 6 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆68Updated last week
• Savoie-Research-Group / yarp
  Object-oriented refactoring of the YARP package
  ☆13Updated this week
• tobacco-mofs / tobacco_3.0
  ☆54Updated 4 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• aspuru-guzik-group / gryffin
  ☆57Updated 2 years ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆35Updated 11 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆90Updated last year
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 9 months ago
• qcscine / chemoton
  ☆48Updated 9 months ago
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆30Updated 3 years ago
• MDIL-SNU / G-metaD
  Metadynamics code on the G-space.
  ☆14Updated 3 years ago
• imagdau / aseMolec
  ☆25Updated last week
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• sparks-baird / xtal2png
  Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
  ☆37Updated last year
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆18Updated 5 months ago
• sgbaird / honegumi
  Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
  ☆54Updated last week
• manny405 / mcse
  Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
  ☆15Updated 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
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆38Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆40Updated 3 years ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 5 months ago