Alternatives and similar repositories for analogmat

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

• zhenpengyao / Supramolecular_VAE
  ☆34Updated last month
• lamalab-org / structuregraph-helpers
  Helpers for working with pymatgen structure graphs.
  ☆12Updated 9 months ago
• orlandoacevedo / GAML
  Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.
  ☆15Updated 4 years ago
• ciankingston / mordred_descriptors
  ☆11Updated 3 years ago
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆23Updated 2 years ago
• binghuang2018 / aqml
  Amons-based quantum machine learning for quantum chemistry
  ☆25Updated this week
• coleygroup / QM-augmented_GNN
  ☆20Updated 2 years ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 4 years ago
• hjkgrp / text_mining_tools
  Tools to facilitate NLP of scientific literature
  ☆17Updated 3 years ago
• Frank-LIU-520 / DeepMoleNet
  Deep learning for molecules quantum chemistry properties prediction
  ☆40Updated 4 years ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆14Updated 6 years ago
• Fung-Lab / StructRepGen
  Atomic Structure Generation from Reconstructing Structural Fingerprints
  ☆15Updated 3 years ago
• a1k12 / moleculetda
  A framework for using topological data analysis to extract structure/symmetry from scientific systems.
  ☆25Updated 3 years ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• tsudalab / MDTS
  Materials Design by Monte Carlo Tree Search
  ☆35Updated 3 years ago
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆16Updated 2 years ago
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆13Updated 2 years ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆34Updated 3 years ago
• KanHatakeyama / Integrating-multiple-materials-science-projects
  ☆14Updated 3 years ago
• lamalab-org / macbench
  Probing the limitations of multimodal language models for chemistry and materials research
  ☆20Updated last month
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated last year
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆12Updated 5 years ago
• argonne-lcf / molan
  Data analytics for molecular solids melting points
  ☆31Updated 2 years ago
• schwallergroup / chaos
  ☆19Updated last year
• tsudalab / FL_ChemTS
  molecule design for fluorescence
  ☆12Updated 3 years ago
• usccolumbia / tsdnn
  Twin-deep neural network for semi-supervised learning of materials properties
  ☆12Updated 2 years ago
• NREL / rlmolecule
  A reinforcement learning library for material and molecule optimization
  ☆31Updated last year
• egtai / MD_LJP
  An elementary MD simulation program written in python
  ☆24Updated 4 years ago
• prashungorai / combined-gnn
  Graph neural network for predicting energy of known and hypothetical crystal structures
  ☆10Updated 3 years ago