Computational chemist working in a pharmaceutical company. Interested in broad computational methods related to drug discovery.
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perses
perses PublicForked from choderalab/perses
Experiments with expanded ensembles to explore chemical space
Python
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choderalab/espfit
choderalab/espfit PublicRefit espaloma with quantum chemical data and condensed phase properties of RNA systems
Python 1
10 contributions in the last year
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April 2025
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