Pinned Repositories
antefoyer
Antechamber plugin to foyer and support for the GAFF forcefield
Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
cassandra-feedstock
A conda-smithy repository for cassandra.
EEX
The Energy Expression Exchange for Molecular Dynamics.
gmso
Flexible storage of chemical topology for molecular simulation
hfcs-fffit
Force field fitting for HFCs with fffit package
molecool
mosdef_cassandra
MoSDeF compatible wrapper for Cassandra Monte Carlo code
mosdef_cassandra-feedstock
A conda-smithy repository for mosdef_cassandra.
planets
emarinri's Repositories
emarinri/antefoyer
Antechamber plugin to foyer and support for the GAFF forcefield
emarinri/Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
emarinri/cassandra-feedstock
A conda-smithy repository for cassandra.
emarinri/EEX
The Energy Expression Exchange for Molecular Dynamics.
emarinri/gmso
Flexible storage of chemical topology for molecular simulation
emarinri/hfcs-fffit
Force field fitting for HFCs with fffit package
emarinri/molecool
emarinri/mosdef_cassandra
MoSDeF compatible wrapper for Cassandra Monte Carlo code
emarinri/mosdef_cassandra-feedstock
A conda-smithy repository for mosdef_cassandra.
emarinri/planets
emarinri/pyIAST
Ideal Adsorbed Solution Theory
emarinri/PyLAT
emarinri/pylat-feedstock
A conda-smithy repository for pylat.
emarinri/reproducibility_study
Repo for data collection, discussion, etc for a MoSDeF reproducibility study.
emarinri/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
emarinri/UNICAMP-utils