HanatoK

Pinned Repositories

colvars
Collective variables library for molecular simulation and analysis programs
Language:C++212 19 36257
Apoa1-Benchmark
Apoa1 benchmark for NAMD, AMBER, GROMACS and openMM
Language:Rich Text Format0 2 20
Berezhkovskii_Szabo_potential
Potential energy function mentioned in doi.org/10.1063/1.1818091
Language:C++1 1 00
colvars_sum_hills
Sum up metadynamics' hills trajectory from colvars
Language:C++2 2 00
dissertation
Code of my dissertation
0 2 00
namd_colvars_opes_examples
Language:Python1 1 00
plumed2
Development version of plumed 2 with eABF
Language:C++4 2 02
plumed2
Development version of plumed 2
Language:C++364 33 612289

HanatoK's Repositories

HanatoK/plumed2
Development version of plumed 2 with eABF
Language:C++4 2 02
HanatoK/Berezhkovskii_Szabo_potential
Potential energy function mentioned in doi.org/10.1063/1.1818091
Language:C++1 1 00
HanatoK/linear_algebra
My playground for learning linear algebra
Language:C++1 1 00
HanatoK/namd_colvars_opes_examples
Language:Python1 1 00
HanatoK/test_simulation
WTM-eABF example
Language:C++1 2 0
HanatoK/Apoa1-Benchmark
Apoa1 benchmark for NAMD, AMBER, GROMACS and openMM
Language:Rich Text Format0 2 20
HanatoK/AlignTrajectory
Compute the optimal alignment of atomic trajectories
Language:Python1 0
HanatoK/alphashape
Toolbox for constructing alpha shapes.
Language:Python
HanatoK/BFEE2
binding free energy estimator 2
Language:Python
HanatoK/bfee2-feedstock
A conda-smithy repository for bfee2.
HanatoK/charm
The Charm++ parallel programming system. Visit https://charmplusplus.org/ for more information.
Language:C++0 0
HanatoK/colvars
Collective variables module for molecular simulation and analysis programs
Language:C++1 1
HanatoK/colvars_gpu_prototype
Language:C++
HanatoK/committor_string
Implements a committor-consistent variational string method
Language:Cython
HanatoK/CompilerPractice
Practice of Writing Compilers and Interpreters.
Language:C++
HanatoK/CUDA_atomicAdd_benchmark
Language:C++1 0
HanatoK/deep-learning-slow-modes
Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
Language:Roff
HanatoK/histogram_python
Language:Python0 0
HanatoK/icu
The home of the ICU project source code.
Language:C++0 0
HanatoK/Intel_Compiler_2019_bug_test
Language:C++1 0
HanatoK/intellij-community
IntelliJ IDEA Community Edition & IntelliJ Platform
1 0
HanatoK/lone_pair_force
Lone pair force in CHARMM force fields
Language:Jupyter Notebook1 0
HanatoK/miscellaneous_scripts
Various scripts for my personal use
Language:Jupyter Notebook2 0
HanatoK/namd_pytorchforces_example
Experimental example of using pytorch for biasing in NAMD
Language:Python2 0
HanatoK/NESToolbox_py3
A python3 port of NESToolbox
Language:Python1 0
HanatoK/opensuse_installkernel
Script of installing manually built kernel on OpenSUSE Tumbleweed
Language:Shell2 0
HanatoK/PMFToolBox
A Qt GUI Toolbox for post-processing the potentail of mean force (PMF)
Language:C++2 01
HanatoK/pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
Language:C++0 0
HanatoK/stmv-benchmark
Language:Rich Text Format
HanatoK/Use_external_libraries
Code examples of using various external libraries
Language:C++