Alternatives and similar repositories for benchmark_aflow

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

• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆15Updated 6 years ago
• tsudalab / MDTS
  Materials Design by Monte Carlo Tree Search
  ☆35Updated 4 years ago
• KanHatakeyama / Integrating-multiple-materials-science-projects
  ☆14Updated 3 years ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• weitse-hsu / boltzmann_generators
  A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Bou…
  ☆24Updated 3 years ago
• zhenpengyao / Supramolecular_VAE
  ☆35Updated 3 months ago
• coleygroup / polymer-chemprop-data
  Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
  ☆21Updated 3 years ago
• idocx / Atom2Vec
  Atom2Vec: a simple way to describe atoms for machine learning
  ☆37Updated last year
• CooperComputationalCaucus / kuka_optimizer
  Bayesian optimization used for kuka workflow
  ☆20Updated 2 years ago
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆85Updated 4 years ago
• ihalage / analogmat
  Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.
  ☆10Updated 2 years ago
• hoffmannjordan / Encoding-Decoding-3D-Crystals
  "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…
  ☆36Updated 6 years ago
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆22Updated 2 years ago
• mir-group / nequip-input-files
  Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…
  ☆14Updated 6 months ago
• williamratcliff / GNN-tutorial-APS-March-2023
  These are the slides associated with the GNN tutorial at the APS March Meeting
  ☆21Updated 2 years ago
• CJBartel / TestStabilityML
  ☆26Updated 2 years ago
• openpathsampling / ops_tutorial
  Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling
  ☆17Updated 3 weeks ago
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆41Updated 3 years ago
• egtai / MD_LJP
  An elementary MD simulation program written in python
  ☆24Updated 4 years ago
• anhender / mse_ML_datasets
  ☆16Updated 3 years ago
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆27Updated 2 years ago
• b-shields / auto-QChem
  Quantum mechanical descriptor generation
  ☆55Updated 5 years ago
• davkovacs / BOTNet-datasets
  This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
  ☆19Updated 3 years ago
• lamalab-org / pyepal
  Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
  ☆41Updated 9 months ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆59Updated 3 years ago
• ertekin-research-group / Material_Recommender
  ☆14Updated 2 years ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆26Updated 2 years ago
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆35Updated 3 years ago
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆20Updated last year
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆15Updated 2 years ago