materials-genome

There are 15 repositories under materials-genome topic.

  • tilde-lab/awesome-materials-informatics

    Curated list of known efforts in materials informatics, i.e. in modern materials science

    37217885

  • USCCACS/RXMD

    RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine

    Language:Fortran23184214

  • PhasesResearchLab/pySIPFENN

    Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.

    Language:Python19453

  • USCCACS/GEARS

    Game-Engine Assisted Research framework for Scientific computing (GEARS) in Virtual Reality

    Language:C++159716

  • espottesmith/MPcat

    An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynamics and kinetics.

    Language:Python12203

  • sparks-baird/CrabNet

    Predict materials properties using only the composition information!

    Language:HTML121185

  • USCCACS/QXMD

    QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine

    Language:Fortran101127

  • tilde-lab/optimade.science

    A "sky-scanner" Optimade browser-only GUI

    Language:Svelte84263

  • Exabyte-io/esse

    JSON schemas and examples representing structural data, characteristic properties, modeling workflows and related data about materials standardizing the diverse landscape of information

    Language:Python61234

  • USCCACS/ALLM

    ALLM: Active Learning for Accelerated Design of Layered Materials

    Language:Python6805

  • Exabyte-io/api-examples

    Example usage of Exabyte.io platform through its RESTful API: programmatically create materials and modeling workflows, execute simulations on the cloud, analyze data and build machine learning models

    Language:Jupyter Notebook51123

  • Exabyte-io/documentation

    Exabyte.io platform documentation containing a detailed explanation of the entities, and their relationship, as well as a list of hands-on video tutorials.

    Language:Python51102

  • tilde-lab/optimade-client

    Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers

    Language:TypeScript52121

  • mpds-io/ermac

    Ermac is a standalone MPDS platform GUI to be embedded in any website

    Language:JavaScript3183

  • Exabyte-io/express

    ExPrESS: Exabyte Property Extractor, Sourcer, Serializer. A python package allowing to extract and standardize materials data from native format for physics-based simulation engines.

    Language:Python21112