mori0711

Pinned Repositories

3d-ken-burns
an implementation of 3D Ken Burns Effect from a Single Image using PyTorch
Language:Python0 1 00
3Dmol.js
WebGL accelerated JavaScript molecular graphics library
Language:Jupyter Notebook0 1 00
3DStructGen
3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.
Language:JavaScript0 1 00
AIMNet2
Language:Python00
alfabet
Machine learning predictions of bond dissociation energy
Language:Jupyter Notebook00
azurechat
🤖 💼 Azure Chat Solution Accelerator powered by Azure Open AI Service
Language:TypeScript0 0 00
burai
BURAI, a GUI system of Quantum ESPRESSO
Language:Java0 1 00
IL
Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
1 1 00
nanolabo_casestudy
Language:JavaScript1 2 00
polypargen_manual
20

mori0711's Repositories

mori0711/polypargen_manual
20
mori0711/IL
Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
1 1 00
mori0711/3d-ken-burns
an implementation of 3D Ken Burns Effect from a Single Image using PyTorch
Language:Python0 1 00
mori0711/3Dmol.js
WebGL accelerated JavaScript molecular graphics library
Language:Jupyter Notebook0 1 00
mori0711/3DStructGen
3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.
Language:JavaScript0 1 00
mori0711/burai
BURAI, a GUI system of Quantum ESPRESSO
Language:Java0 1 00
mori0711/ChemTS
Molecule Design using Monte Carlo Tree Search with Neural Rollout
Language:Python00
mori0711/combo
COMmon Bayesian Optimization
Language:Python00
mori0711/doctest
Language:Python
mori0711/gromacs-scripts
A collection of scripts which I have developed to use GROMACS, for both compute clusters and post-simulation analysis.
Language:Shell
mori0711/ilff
Force field for ionic liquids.
1 0
mori0711/ketcher
Web-based molecule sketcher
Language:JavaScript1 0
mori0711/ketcher-1
Ketcher: web-based chemical sketcher
mori0711/LiteMol
A library/plugin for handling 3D structural molecular data (not only) in the browser.
Language:JavaScript
mori0711/manual_exabyte
2 0
mori0711/mkdocs-material
A Material Design theme for MkDocs
Language:HTML
mori0711/molcalc
MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online
mori0711/MOLs
MOL-files to calculate RISMs with Quantum ESPRESSO
1 0
mori0711/mori0711.github.io
Language:HTML
mori0711/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
mori0711/ovito
Fork of ovito
mori0711/PCAviz
An R package to help in plotting PCA results nicely.
Language:HTML1 0
mori0711/python-snippets
mori0711/q-e
ESM-RISM version of Quantum ESPRESSO
Language:Fortran1 0
mori0711/QCSchema
A Schema for Quantum Chemistry
Language:Python1 0
mori0711/reaction_learning
mori0711/spglib
C library for finding and handling crystal symmetries
mori0711/testpage
Language:HTML
mori0711/wave.js
Web-based Atomic Viewer by Exabyte. A JavaScript library for 3D atomic visualization and editing enabling the manipulation of material structures from atoms up on the web.