mkatouda Goto Github PK
Name: Michio Katouda
Type: User
Company: RIST
Bio: Ph.D, Deputy General Manager, Principal Scientist @ Department of Computational Science and Technology, RIST
Location: Japan
Name: Michio Katouda
Type: User
Company: RIST
Bio: Ph.D, Deputy General Manager, Principal Scientist @ Department of Computational Science and Technology, RIST
Location: Japan
Tutorial examples about how to use ACPYPE with GROMACS
Parsers and algorithms for computational chemistry logfiles
Refined and extended version of ChemTS
Sample notebooks of Google Colaboratory (in Japanese)
clustering analysis tool of molecular conformations
Crytal structure prediction using PyXtal and DFTB+
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
gromax protein-ligand MD trajectory analysis tools
Graph neural networks for molecular design.
Bugfix of amber14sb force field of gromacs
gromacs build scripts
gromacs MD tutorial of peptide from http://www.strodel.info/index_files/lecture/html/tutorial.html
gromacs MD tutorial of general solution systems
Tools for GRRM job anaysis
examples of matminer
python script easy to use Autodock Vina basic docking simulation
Machine learning samples
Some collected tools for molecular simulation pipelines
File converter from mol2 file to Moltemplate LT file.
Python script easy to make force field topology of molecular crystals
NequIP is a code for building E(3)-equivariant interatomic potentials
PDBFixer fixes problems in PDB files
Integrated program of PDBFixer and AutoDockTools to prepare protein model of molecular dynamics simulation and AutoDock Vina docking simulation.
Python 3 translation of Placevent - 3D-RISM-based solvent and ion placement software
Protein-Ligand Attached Complex Input Generator for Molecular Dynamics
python interface of StrainFilter
An example of python-packaging
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.