pitmanme

Code home for my former work at: Postdoc: Mobley Lab, MolSSI; PhD: Papoian Lab, NCI/NIH

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Pinned Repositories

HiMap
High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)
Language:Python16 3 22
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++1.5k 82 2.8k531
github-tutorial-mm-tools
Set up for the mm-tools workshop
0 0 00
HiMap
High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)
Language:Python1 1 00
HiMap_dev
Private repository for developmental features of HiMap 2.0.
Language:Python0 2 00
HiMap_ms_analyses
Contains analysis code and raw data for HiMap manuscript
Language:Python0 2 00
molssi-poster-pitmanme
Language:TeX0 0 00
pitmanme.github.io
repository for M. E. Pitman of UCI formerly UMD/NIH
Language:Python0 1 00
system_builder
automation of setting up systems for the pmxworkflow
Language:Python2 2 00

pitmanme's Repositories

pitmanme/system_builder
automation of setting up systems for the pmxworkflow
Language:Python2 2 00
pitmanme/HiMap
High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)
Language:Python1 1 00
pitmanme/github-tutorial-mm-tools
Set up for the mm-tools workshop
0 0 00
pitmanme/HiMap_dev
Private repository for developmental features of HiMap 2.0.
Language:Python0 2 00
pitmanme/HiMap_ms_analyses
Contains analysis code and raw data for HiMap manuscript
Language:Python0 2 00
pitmanme/molssi-poster-pitmanme
Language:TeX0 0 00
pitmanme/pitmanme.github.io
repository for M. E. Pitman of UCI formerly UMD/NIH
Language:Python0 1 00