Alternatives and similar repositories for DANTE

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

• Teoroo-CMC / PiNN
  A Python library for building atomic neural networks
  ☆122Updated this week
• b-shields / edbo
  Experimental Design via Bayesian Optimization
  ☆166Updated 3 years ago
• Matgenix / pysisso
  Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
  ☆63Updated last year
• williamratcliff / GNN-tutorial-APS-March-2023
  These are the slides associated with the GNN tutorial at the APS March Meeting
  ☆21Updated 2 years ago
• PV-Lab / Benchmarking
  Benchmarking
  ☆31Updated 4 years ago
• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆30Updated this week
• BaratiLab / GAMD
  Data and code for graph neural network accelerated molecular dynamics
  ☆42Updated 3 years ago
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆85Updated 4 years ago
• rouyang2017 / SISSO
  A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
  ☆350Updated this week
• PaulsonLab / TorchSISSO
  ☆30Updated 5 months ago
• deepmaterials / dlmatreview
  Repository for links to software packages and databases used in deep-learning applications for materials science
  ☆150Updated 8 months ago
• RadonPy / RadonPy
  RadonPy is a Python library to automate physical property calculations for polymer informatics.
  ☆241Updated last month
• Jiaxuan-Ma / MatDesign
  MatDesign: a programming-free AI platform to predict and design materials
  ☆79Updated last month
• Fung-Lab / MatDeepLearn
  MatDeepLearn, package for graph neural networks in materials chemistry
  ☆198Updated 2 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆43Updated 2 years ago
• njszym / XRD-AutoAnalyzer
  ☆115Updated 5 months ago
• richardjgowers / poreblazer
  Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.
  ☆13Updated 7 years ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆58Updated 3 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• llnl / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆103Updated last year
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆39Updated this week
• learningmatter-mit / NeuralForceField
  Neural Network Force Field based on PyTorch
  ☆284Updated 4 months ago
• ziyuanrao11 / Machine-learning-enabled-high-entropy-alloy-discovery
  This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'
  ☆83Updated 2 years ago
• stefanch / sGDML
  sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
  ☆163Updated 7 months ago
• jorisparet / partycls
  Unsupervised learning of structure in systems of interacting particles.
  ☆13Updated 2 years ago
• TRI-AMDD / PolyGen
  ☆25Updated 8 months ago
• vashisth-lab / VitrimerVAE
  AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385
  ☆11Updated 3 months ago
• brucefan1983 / Molecular-Dynamics-Simulation
  Sample codes for my book on molecular dynamics simulation
  ☆275Updated last month
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆83Updated 2 years ago
• Open-Catalyst-Project / Open-Catalyst-Dataset
  Workflow for creating and analyzing the Open Catalyst Dataset
  ☆122Updated 11 months ago