sigbjobo

Pinned Repositories

deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
Language:C++1.5k 47 781505
Crystallization-of-IceIh
Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulations
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deepmd-kit_hotfix_hipcc_flags
A deep learning package for many-body potential energy representation and molecular dynamics
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DNA_Hybrid_particle_field
Language:Roff1 0 00
hPF_MD_PMESH
Language:Python1 1 01
MBX
DO NOT CLONE. Currently under development. This code will be able to calculate the energy of a set of systems composed by molecules, each molecule composed by monomers.
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PETSC_tests
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Quantum-phase-diagram-of-water
Language:Roff3 1 01
sigbjobo
My personal website
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TIP4P-Ice-Phase-Diagram
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sigbjobo's Repositories

sigbjobo/TIP4P-Ice-Phase-Diagram
Language:Roff5 2 04
sigbjobo/Quantum-phase-diagram-of-water
Language:Roff3 1 01
sigbjobo/DNA_Hybrid_particle_field
Language:Roff1 0 00
sigbjobo/hPF_MD_PMESH
Language:Python1 1 01
sigbjobo/Crystallization-of-IceIh
Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulations
Language:Jupyter Notebook0 0 00
sigbjobo/deepmd-kit_hotfix_hipcc_flags
A deep learning package for many-body potential energy representation and molecular dynamics
Language:C++0 0 00
sigbjobo/MBX
DO NOT CLONE. Currently under development. This code will be able to calculate the energy of a set of systems composed by molecules, each molecule composed by monomers.
Language:C++0 0 00
sigbjobo/PETSC_tests
Language:Fortran0 0 00
sigbjobo/sigbjobo
My personal website
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