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Open Molecular Software Foundation
- Vienna, Austria
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03:24
(UTC +02:00) - https://orcid.org/0000-0003-2631-8415
- @wiedermc
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cbc-univie/transformato
cbc-univie/transformato PublicSet up relative free energy calculations using a common scaffold
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choderalab/neutromeratio
choderalab/neutromeratio PublicTautomer ratios in solution
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mayrf/pkasolver
mayrf/pkasolver Publictoolkit for prediction pKa values of small molecules via graph convolutional networks
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endstate_correction
endstate_correction PublicEndstate corrections from MM to QML potential
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choderalab/modelforge
choderalab/modelforge PublicInfrastructure to implement and train NNPs
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Exscientia/StableNetGuardOwl
Exscientia/StableNetGuardOwl PublicPerform stability tests for Neural Network Potentials
Python 5
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