Computational Chemistry at Achira, former PostDoc at @cbc-univie and @choderalab, @Exscientia and OMSF
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Achira
- New York City, NY, USA
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05:12
(UTC -04:00) - https://orcid.org/0000-0003-2631-8415
- @wiedermc
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A booklet on machine learning systems design with exercises. NOT the repo for the book "Designing Machine Learning Systems", which is `dmls-book`
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
Materials for ORIE 7191: Topics in Optimization for Machine Learning
Data and scripts for comprehensive benchmark of conformer relative energies