Pinned Repositories
aiida_core
The official repository for the AiiDA code
best-of-atomistic-machine-learning
π A ranked list of awesome atomistic machine learning projects βοΈπ§¬π.
data_efficient_grammar
[ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
deep-learning-physics
ibm-quantum-challenge-fall-2021
For IBM Quantum Challenge Fall 2021
reinforcement-learning-kr
[νμ΄μ¬κ³Ό μΌλΌμ€λ‘ λ°°μ°λ κ°ννμ΅] μμ
ReinforcementZeroToAll
TBFIT
Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
VASPBAUM
BAnd Unfolding Machinery for VASP (VASP-BAUM)
VASPBERRY
Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
Infant83's Repositories
Infant83/VASPBERRY
Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
Infant83/TBFIT
Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
Infant83/VASPBAUM
BAnd Unfolding Machinery for VASP (VASP-BAUM)
Infant83/aiida_core
The official repository for the AiiDA code
Infant83/best-of-atomistic-machine-learning
π A ranked list of awesome atomistic machine learning projects βοΈπ§¬π.
Infant83/data_efficient_grammar
[ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
Infant83/deep-learning-physics
Infant83/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Infant83/ibm-quantum-challenge-fall-2021
For IBM Quantum Challenge Fall 2021
Infant83/reinforcement-learning-kr
[νμ΄μ¬κ³Ό μΌλΌμ€λ‘ λ°°μ°λ κ°ννμ΅] μμ
Infant83/ReinforcementZeroToAll
Infant83/Eigenvector-Eigenvalue-Identity
Infant83/foundations-drl
Implementing the base algorithms of Deep Reinforcement Learning in Python
Infant83/go-explore
Code for Go-Explore: a New Approach for Hard-Exploration Problems
Infant83/Hands-On-Reinforcement-Learning-with-Python
Hands-On Reinforcement Learning with Python, published by Packt
Infant83/HartreeFockPythonProgram
Infant83/molplotly
add-on to plotly which show molecule images on mouseover!
Infant83/neural-fortran
A parallel neural net microframework
Infant83/pawpyseed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Infant83/pyGWBSE
python workflow for GW-BSE calculation
Infant83/pyphotonics
Infant83/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
Infant83/pysktb
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
Infant83/PyTorchZeroToAll
Simple PyTorch Tutorials Zero to ALL!
Infant83/qiskit-optimization
Quantum Optimization
Infant83/ReCirq
Research using Cirq!
Infant83/Refs_EQA_GSQC
Infant83/reinforcement-learning
Minimal and Clean Reinforcement Learning Examples
Infant83/rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
Infant83/xtb-python
Python API for the extended tight binding program package