A computational chemist with a passion in utilizing the power of statistical mechanics and machine learning in drug design.
- Boulder, Colorado
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18:00
(UTC -07:00) - https://www.linkedin.com/in/payal-chatterjee-47026628/
- https://orcid.org/0000-0003-4623-6070
Popular repositories Loading
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caddtools
caddtools PublicA one stop destination of open source tools in Computer Aided Drug Design (CADD)
JavaScript
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virtual_screening
virtual_screening PublicVirtual Screening Workflow : post molecular docking - for triaging hits based on pose convergence + substructure similarity : all with RDKit
Python
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cadd-workflows
cadd-workflows PublicEnd-to-end reproducible workflows for structure-based virtual screening using AutoDock Vina and DiffDock.
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