jmaat

PhD Student @ UCI in Mobley Group & Open Force Field Initiative.

Open Force Field Irvine CA

Pinned Repositories

.vmd.d
VMD configuration files
Language:Tcl0 1 00
FB_example
0 1 00
forcebalance
Systematic force field optimization.
Language:Python10
fragmenter_data
Data for fragmenter
Language:Jupyter Notebook00
jmaat.github.io
00
mmtools
Some collected tools for molecular simulation pipelines
Language:Python00
openff-spellbook
Handy functionality for working with OpenFF data
Language:Python00
openforcefield.org
openforcefield.org Hugo website source
Language:CSS0 1 00
openmm-forcefields
CHARMM and AMBER forcefields for OpenMM
Language:Python0 1 00
proj.doc
00

jmaat's Repositories

jmaat/forcebalance
Systematic force field optimization.
Language:Python10
jmaat/.vmd.d
VMD configuration files
Language:Tcl0 1 00
jmaat/FB_example
0 1 00
jmaat/fragmenter_data
Data for fragmenter
Language:Jupyter Notebook00
jmaat/jmaat.github.io
00
jmaat/mmtools
Some collected tools for molecular simulation pipelines
Language:Python00
jmaat/openff-spellbook
Handy functionality for working with OpenFF data
Language:Python00
jmaat/openforcefield.org
openforcefield.org Hugo website source
Language:CSS0 1 00
jmaat/openmm-forcefields
CHARMM and AMBER forcefields for OpenMM
Language:Python0 1 00
jmaat/proj.doc
00
jmaat/RMSDAnalysis_RocheSet
These are scripts I am using for RMSD analysis of the Roche Optimization Data Set from QC Archive.
Language:Python
jmaat/sdsc-summer-institute-2020
SDSC Summer Institute 2020 material
Language:HTML1 0