Topic: materials-discovery Goto Github
Some thing interesting about materials-discovery
Some thing interesting about materials-discovery
materials-discovery,Generate random alloys and compute various properties
User: asif-iqbal-bhatti
Home Page: https://asif-iqbal-bhatti.github.io/High-Entropy-Alloys/
materials-discovery,The Wren sits on its Roost in the Aviary.
User: comprhys
materials-discovery,Representation Learning from Stoichiometry
User: comprhys
Home Page: https://doi.org/10.1038/s41467-020-19964-7
materials-discovery,Quantum-inspired Cluster Expansion: formulating chemical space search as QUBOs and Ising models
User: hitarth64
materials-discovery,closed loop materials discovery using error correction learning
User: hitarth64
materials-discovery,Capstone project for my Master's degree. In it, I developed some machine learning models to predict the heat of formation for materials containing 1–3 components.
User: isaiahsteinke
materials-discovery,An evaluation framework for machine learning models simulating high-throughput materials discovery.
User: janosh
Home Page: https://matbench-discovery.materialsproject.org
materials-discovery,Data-driven risk-conscious thermoelectric materials discovery
User: janosh
materials-discovery,🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Organization: judftteam
materials-discovery,Tool to search vast areas of chemical space for magnesium dissolution modulators.
User: koerper
Home Page: https://www.exchem.de
materials-discovery,Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Organization: materialsvirtuallab
materials-discovery,Vote on whether you think predicted crystal structures could be synthesised
User: ml-evs
Home Page: https://thismaterialdoesnotexist.com
materials-discovery,MSc research project on application of Quality-Diversity algorithms for crystal structure prediction
User: mwolinska
materials-discovery,Evolutionary algorithm for development of glassy alloy materials
User: robert-forrest
Home Page: https://evomatic.readthedocs.io/en/latest/
materials-discovery,Project page for "Physics-informed graph neural networks accelerating microneedle simulations towards novelty of micro-nano scale materials discovery" as a part of Romrawin Chumpu's master thesis and publication.
User: romrawinjp
Home Page: https://romrawinjp.github.io/mn-mat-dis/
materials-discovery,Using Bayesian optimization via Ax platform + SAASBO model to simultaneously optimize 23 hyperparameters in 100 iterations (set a new Matbench benchmark).
Organization: sparks-baird
Home Page: https://doi.org/10.1016/j.commatsci.2022.111505
materials-discovery,A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
Organization: sparks-baird
Home Page: https://mat-discover.readthedocs.io/
materials-discovery,Examples of using the Novel Materials Discovery (NOMAD) database, especially downloading all chemical formulas.
Organization: sparks-baird
Home Page: https://doi.org/10.6084/m9.figshare.19319783.v3
materials-discovery,Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers
Organization: tilde-lab
Home Page: https://optimade.science
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