Alternatives and similar repositories for Materials-Search

Users that are interested in Materials-Search are comparing it to the libraries listed below

• learningmatter-mit / Chem-prop-pred
  Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.
  ☆21Updated last year
• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆24Updated 4 months ago
• lrcfmd / LiIonML
  A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities E…
  ☆22Updated last year
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆46Updated 3 weeks ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆125Updated 5 months ago
• TRI-AMDD / PolyGen
  ☆25Updated 5 months ago
• manny405 / mcse
  Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
  ☆15Updated 3 years ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆43Updated last year
• NREL / m2p
  ☆34Updated 3 months ago
• Henrium / MolSets
  Molecular graph deep sets learning for mixture property modeling.
  ☆24Updated 8 months ago
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆34Updated 3 years ago
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆82Updated 3 weeks ago
• GOMC-WSU / py-MCMD
  This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles
  ☆43Updated last week
• arcann-chem / arcann_training
  An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
  ☆21Updated 3 months ago
• egtai / MD_LJP
  An elementary MD simulation program written in python
  ☆24Updated 4 years ago
• good4488 / ZeoGAN
  Zeolite GAN
  ☆24Updated 5 years ago
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆13Updated 2 years ago
• Chung-Research-Group / AIM
  AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling
  ☆12Updated last month
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆111Updated last year
• jintuzhang / gnncv
  Descriptors-free Collective Variables From Geometric Graph Neural Networks.
  ☆12Updated 9 months ago
• Ramprasad-Group / canonicalize_psmiles
  Tool for the canonicalization of Polymer SMILES (P🙂) strings
  ☆28Updated last year
• JorenBE / GPT-Challenge
  ☆14Updated 11 months ago
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆20Updated last year
• aspuru-guzik-group / gryffin
  ☆58Updated 2 years ago
• owencqueen / PolymerGNN
  Polymer property prediction with GNNs and deep set learning.
  ☆24Updated 2 years ago
• sustainable-processes / multitask
  Accelerating Bayesian reaction optimization with limited data
  ☆10Updated 2 years ago
• cuitaoyong / GPIP
  ☆18Updated last year
• 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
• mjwen / bondnet
  A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
  ☆64Updated last month
• xiaoruiDong / RDMC
  Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
  ☆28Updated 6 months ago