Hyun-Jung Kim's repositories
aiida_core
The official repository for the AiiDA code
data_efficient_grammar
[ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
ibm-quantum-challenge-fall-2021
For IBM Quantum Challenge Fall 2021
reinforcement-learning-kr
[파이썬과 케라스로 배우는 강화학습] 예제
foundations-drl
Implementing the base algorithms of Deep Reinforcement Learning in Python
go-explore
Code for Go-Explore: a New Approach for Hard-Exploration Problems
Hands-On-Reinforcement-Learning-with-Python
Hands-On Reinforcement Learning with Python, published by Packt
molplotly
add-on to plotly which show molecule images on mouseover!
neural-fortran
A parallel neural net microframework
pawpyseed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
pyGWBSE
python workflow for GW-BSE calculation
pyscf2gfn
Parser code written in Python for using GFn-XTB as a relaxation engine for providing relaxed structures to PySCF directly within the same script
pysktb
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
PyTorchZeroToAll
Simple PyTorch Tutorials Zero to ALL!
qiskit-optimization
Quantum Optimization
ReCirq
Research using Cirq!
reinforcement-learning
Minimal and Clean Reinforcement Learning Examples
rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
xtb-python
Python API for the extended tight binding program package