ml-evs / necroptimade

Spawn and revive OPTIMADE APIs from static data.

I'm Matthew, a BEWARE Postdoctoral Research Fellow at UCLouvain and Matgenix, broadly interested in accelerating materials discovery and design via machine learning, digital data management and open source scientific software.

Current projects

• Active learning workflows for inorganic materials discovery and design @modl-uclouvain
• Automated and ML-accelerated workflows @matgenix
• Data management systems that capture context for experimental materials chemistry @the-grey-group, e.g., the-grey-group/datalab
• Designing collaborative infrastructure and standards for scientific ETL @marda-alliance, e.g., marda-alliance/metadata_extractors
• Web APIs for crystal structure databases @Materials-Consortia, e.g., Materials-Consortia/OPTIMADE, Materials-Consortia/optimade-python-tools, materialscloud-org/optimade-maker
• The MADICES workshops promoting machine-actionable data interoperability in the chemical sciences @MADICES

Please reach out to me via the email on my personal website if you are interested in:

• Testing out or hosting a deployment of the datalab software for your research group or company
• Joining the MaRDA metadata extractors working group
• Deploying your crystal structure data, or ingesting community data, with an OPTIMADE API
• Benchmarking machine learned interatomic potentials on specific systems of interest

necroptimade's Issues

Migrate away from Heroku

Well, first decide whether this is worth putting some more effort into, then migrate.

Materials-Consortia/optimade-python-tools#1307