v3op01

Pinned Repositories

pyscf
Python module for quantum chemistry
Language:Python1.2k 79 1.5k567
DIS2020
For Dissertation
Language:JavaScript00
ElectricField
00
macOS-Simple-KVM
Tools to set up a quick macOS VM in QEMU, accelerated by KVM.
Language:Shell00
ochem_predict_nn
Language:Python00
pyscf
Python module for quantum chemistry
Language:Python00
q2mm
Quantum to Molecular Mechanics (Q2MM)
Language:Python00
rexgen_direct
Template-free prediction of organic reaction outcomes
Language:Jupyter Notebook00
RTMME
Real Time TDDFT with Manby-Miller Embedding Method
Language:Python41
Tinker
Tinker: Software Tools for Molecular Design
Language:Fortran00

v3op01's Repositories

v3op01/RTMME
Real Time TDDFT with Manby-Miller Embedding Method
Language:Python41
v3op01/DIS2020
For Dissertation
Language:JavaScript00
v3op01/ElectricField
00
v3op01/macOS-Simple-KVM
Tools to set up a quick macOS VM in QEMU, accelerated by KVM.
Language:Shell00
v3op01/ochem_predict_nn
Language:Python00
v3op01/pyscf
Python module for quantum chemistry
Language:Python00
v3op01/q2mm
Quantum to Molecular Mechanics (Q2MM)
Language:Python00
v3op01/rexgen_direct
Template-free prediction of organic reaction outcomes
Language:Jupyter Notebook00
v3op01/Tinker
Tinker: Software Tools for Molecular Design
Language:Fortran00