-
Quantum chemistry and solid state physics software package
Fortran GNU General Public License v2.0 UpdatedAug 9, 2024 -
-
-
-
OctaDist Public
Forked from OctaDist/OctaDistA tool for calculating distortion parameters in coordination complexes.
Python GNU General Public License v3.0 UpdatedMar 12, 2024 -
algo-sim-mol-book Public
หนังสืออัลกอริทึมสำหรับการจำลองทางคอมพิวเตอร์ของระบบโมเลกุล
TeX UpdatedFeb 21, 2024 -
ml-qm-book Public
หนังสือปัญญาประดิษฐ์สำหรับเคมีควอนตัม - Machine Learning in Quantum Chemistry Book
-
algo-sim-mol-book-code Public
Code repository of Algorithms for Computer Simulation of Molecular Systems book
Jupyter Notebook UpdatedFeb 2, 2024 -
deepcv Public
Deep learning for collective variables.
-
-
-
ml-qm-book-code Public
Code repository of Machine Learning for Quantum Chemistry book
-
OctaDist.github.io Public
Forked from OctaDist/OctaDist.github.ioOfficial website of OctaDist program.
UpdatedMar 20, 2023 -
plumed2 Public
Forked from plumed/plumed2Development version of plumed 2
C++ GNU Lesser General Public License v3.0 UpdatedMar 8, 2023 -
python-thailand.github.io Public
Forked from python-thailand/python-thailand.github.ioOfficial website of Python Thailand.
HTML UpdatedFeb 13, 2023 -
graph-gen Public
Forked from graph4chem/graph-genGraph generation for graph neural net
Python UpdatedFeb 11, 2023 -
-
tensorflow-cpp-api Public
Guide for building TensorFlow C++ API
-
Skiptify Public
Forked from JeanBaptiste-dlb/SkiptifyAn applet running in the background to learn from what music you skip when you play a playlist, so that if you skip many similar songs it will automatically skip that kind of songs.
Jupyter Notebook MIT License UpdatedOct 23, 2022 -
mpnn Public
Message-Passing Neural Network for Chemistry
-
-
hackzurich2021 Public
MiGarden - Let's reduce CO2 - for the benefit of mankind...
Python UpdatedSep 24, 2022 -
hackzurich2022-emotion Public
Emotion detection using ML for HackZurich 2022 project
Python UpdatedSep 18, 2022 -
-
-
-
deep-learning-chemistry Public
Deep Learning for Chemistry.
-
topology_violation Public
Determine the topology violation in coarse-grained polymer simulation.
python polymer molecular-dynamics lammps multiscale-simulation topology-violation polymer-simulationPython GNU General Public License v3.0 UpdatedJan 1, 2022 -
Auto-NWChem Public
Automated compilation of NWChem on RHEL, CentOS, and Ubuntu.
-
moleview Public
Forked from moleview/moleviewMoleView: A Fast and lightweight plug-in for 3D molecular visualization
Python MIT License UpdatedJun 20, 2021