akakcolin
using atomistic molecular simulation methods to complex problems in biology and materials
beijing
Pinned Repositories
akakcolin.com
AutoDock-GPU
AutoDock for GPUs and other accelerators
cl-pf
darknet
Convolutional Neural Networks
emacs.d-backup
emme
fropho
Automated mapping of the potential energy surface using phonopy (currently only with VASP as the DFT engine)
gdis
A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
gibbs2
Thermodynamics of solids in the quasiharmonic approximation.
op_for_NiTi
A small script using order-parameter method to identity B2,B19,B19'and BCO structrue of NiTi
akakcolin's Repositories
akakcolin/akakcolin.com
akakcolin/AutoDock-GPU
AutoDock for GPUs and other accelerators
akakcolin/cl-pf
akakcolin/darknet
Convolutional Neural Networks
akakcolin/emacs.d-backup
akakcolin/emme
akakcolin/fropho
Automated mapping of the potential energy surface using phonopy (currently only with VASP as the DFT engine)
akakcolin/gdis
A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
akakcolin/gibbs2
Thermodynamics of solids in the quasiharmonic approximation.
akakcolin/gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
akakcolin/libmsym
molecular point group symmetry lib
akakcolin/MOGA-NSGA3
akakcolin/myDocumentsSyn
akakcolin/newlisp
newLISP mirror repository (unofficial)
akakcolin/oneapp
akakcolin/pyberny
Molecular structure optimizer
akakcolin/pyscf
Python module for quantum chemistry
akakcolin/PyXRD
PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar structures.
akakcolin/rdkit
The official sources for the RDKit library
akakcolin/senpai
Molecular dynamics simulation software
akakcolin/xconfigure
High-Performance configuration patterns and recipes.
akakcolin/atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
akakcolin/ggml
Tensor library for machine learning
akakcolin/gosam
generator of simple atomistic models
akakcolin/iRASPA-QT
iRASPA for linux and windows
akakcolin/mdlib
MDLIB: Molecule Dynamics Library
akakcolin/networkc
Package with NetwrokX algorithm rewritten in C
akakcolin/polyscope
A C++ & Python viewer for 3D data like meshes and point clouds
akakcolin/qppcad
molecule and crystal editor written in c++
akakcolin/viamd
Visual Interactive Analysis of Molecular Dynamics