lpwgroup
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learnreactions
learnreactions PublicIdentify reaction events in reactive molecular dynamics simulations
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levulinic-nanoreactor-qc
levulinic-nanoreactor-qc PublicData repository for: Application of the Ab Initio Nanoreactor to the Development of a New Peroxide-Driven Ketone Oxidation Reaction
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Repositories
- torsiondrive-feedstock Public Forked from conda-forge/torsiondrive-feedstock
A conda-smithy repository for torsiondrive.
lpwgroup/torsiondrive-feedstock’s past year of commit activity - levulinic-nanoreactor-qc Public
Data repository for: Application of the Ab Initio Nanoreactor to the Development of a New Peroxide-Driven Ketone Oxidation Reaction
lpwgroup/levulinic-nanoreactor-qc’s past year of commit activity - cctools Public Forked from cooperative-computing-lab/cctools
The Cooperative Computing Tools (cctools) enable large scale distributed computations to harness hundreds to thousands of machines from clusters, clouds, and grids.
lpwgroup/cctools’s past year of commit activity - qca-dataset-submission Public Forked from openforcefield/qca-dataset-submission
Data generation and submission scripts for the QCArchive ecosystem.
lpwgroup/qca-dataset-submission’s past year of commit activity
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