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GM3DFragmenter
GM3DFragmenter Public archiveToolbox for producing and managing molecular fragments for DENOPTIM
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- DENOPTIM Public
DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
denoptim-project/DENOPTIM’s past year of commit activity - RemoteWorkersBridge Public
Tools to create ssh bridges between a local client and remote computers (i.e., the workers) and use these bridges to send data, submit calculations to remote HPC workers, and retrieve the results.
denoptim-project/RemoteWorkersBridge’s past year of commit activity - HSR-Paper-repository Public Forked from marcellocostamagna/HSR-Paper-repository
Repository collecting the scripts used to generate results shown in HSR paper
denoptim-project/HSR-Paper-repository’s past year of commit activity - catalyst_evaluator Public
Data, scripts, and software tools for automated evaluation of Ru-based catalysts for olefin metathesis.
denoptim-project/catalyst_evaluator’s past year of commit activity - denoptim_conda-forge_recipe Public Forked from conda-forge/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
denoptim-project/denoptim_conda-forge_recipe’s past year of commit activity
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