Pinned Repositories
asetk
Toolkit using the Atomistic Simulation Environment (ASE)
efpdb
EFP database
jupyter_nb
libefp
Parallel implementation of the Effective Fragment Potential (EFP) method
parallel_finite_difference
vandervolume
Compute vdW volumes of molecules using brute-force MC simulated darts
vmol_test
Vmol GUI for EFPMD
asetk
Toolkit using the Atomistic Simulation Environment (ASE)
Scripts
efp scripts
geepradeep's Repositories
geepradeep/asetk
Toolkit using the Atomistic Simulation Environment (ASE)
geepradeep/efpdb
EFP database
geepradeep/vandervolume
Compute vdW volumes of molecules using brute-force MC simulated darts
geepradeep/jupyter_nb
geepradeep/libefp
Parallel implementation of the Effective Fragment Potential (EFP) method
geepradeep/parallel_finite_difference
geepradeep/vmol_test
Vmol GUI for EFPMD