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Quantum Molecular Research Scientist
former PhD student at University Vienna @cbc-univie
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Exscientia
- Vienna, Austria
- https://cbc-univie.github.io/transformato/
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ParmEd
ParmEd PublicForked from ParmEd/ParmEd
Parameter/topology editor and molecular simulator
Python 1
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transformato
transformato PublicForked from cbc-univie/transformato
Set up relative free energy calculations using a common scaffold. For detailed information see the documentation at:
Python
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staged-recipes
staged-recipes PublicForked from conda-forge/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python
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openmm-ml
openmm-ml PublicForked from openmm/openmm-ml
High level API for using machine learning models in OpenMM simulations
Python
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macha-feedstock
macha-feedstock PublicForked from conda-forge/macha-feedstock
A conda-smithy repository for macha.
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