Pinned Repositories
deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
DoubleLayerAirWater
dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
GlycineTautomerism
mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
N2BubbleIon
OilWaterInterface
plumed-feedstock
A conda-smithy repository for plumed.
predict_atomic_charge
Predicting scalars with DP, in terms of atomic charge
Zhang-pchao's Repositories
Zhang-pchao/GlycineTautomerism
Zhang-pchao/OilWaterInterface
Zhang-pchao/DoubleLayerAirWater
Zhang-pchao/N2BubbleIon
Zhang-pchao/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
Zhang-pchao/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
Zhang-pchao/dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
Zhang-pchao/mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
Zhang-pchao/plumed-feedstock
A conda-smithy repository for plumed.
Zhang-pchao/predict_atomic_charge
Predicting scalars with DP, in terms of atomic charge
Zhang-pchao/SFG-spectra-tool
This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program can applied to planar, cylindrical and spherical interfaces