Pinned Repositories
afraid-to-commit
Don't be afraid to commit - a workshop/tutorial for inexperienced Python/Django developers who would like to contribute more to the projects they use.
aiida-catmat
Collection of AiiDA WorkChains Developed in CATMAT project
aiida-cp2k
The CP2K plugin for the AiiDA workflow and provenance engine.
aiida-MatDis
Collection of AiiDA WorkChains for Material Discovery Studies
aiida-orca
AiiDA Plugin for ORCA
aiida-porousmaterials
AiiDA plugin for PorousMaterials package
aiida-qchem
AiiDA Plugin for Qchem Package
aiida-supercell
AiiDA plugin for Supercell program
aiida-zeopp
AiiDA plugin for zeo++
PapersBot
Read journal RSS feeds and tweet selected entries
pzarabadip's Repositories
pzarabadip/aiida-orca
AiiDA Plugin for ORCA
pzarabadip/aiida-catmat
Collection of AiiDA WorkChains Developed in CATMAT project
pzarabadip/PapersBot
Read journal RSS feeds and tweet selected entries
pzarabadip/aiida-supercell
AiiDA plugin for Supercell program
pzarabadip/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
pzarabadip/aiida-core
The official repository for the AiiDA code
pzarabadip/aiida-crystal17
A plugin for AiiDA, to run the CRYSTAL17 code
pzarabadip/aiida-lsmo
AiiDA workflows for the LSMO laboratory at EPFL
pzarabadip/aiida-registry
Find plugins for AiiDA
pzarabadip/aml
A... M... L...
pzarabadip/Battery_papers
Code and data for the @Battery_papers twitter bot
pzarabadip/build-instructions
Contains build scripts and instructions for software on a variety of UK HPC resources
pzarabadip/cp2k
Quantum chemistry and solid state physics software package
pzarabadip/CrySPY
CrySPY is a crystal structure prediction tool written in Python.
pzarabadip/CrySPY_utility
pzarabadip/dagster
An orchestration platform for the development, production, and observation of data assets.
pzarabadip/dagster-poor-mans-data-lake
pzarabadip/kliff
KIM-based Learning-Integrated Fitting Framework (KLIFF).
pzarabadip/latex_typography_guide
Morgan group LaTeX typography guide
pzarabadip/mat7.3
Load MATLAB 7.3 .mat files. I.e. load hdf5 into Python datatypes.
pzarabadip/michael_status
A simple Python script to check the status of Michael HPC in UCL
pzarabadip/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
pzarabadip/pymlff
A lightweight python package for reading and writing VASP ML_AB files
pzarabadip/pytorch-apple-silicon-benchmarks
Performance of PyTorch on Apple Silicon
pzarabadip/pzarabadip
pzarabadip/pzarabadip.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
pzarabadip/pzarabadip2.github.io
Website
pzarabadip/sfguide-getting-started-dataengineering-ml-snowpark-python
pzarabadip/sumo
Heavyweight plotting tools for ab initio calculations
pzarabadip/ufunclab
NumPy ufuncs and utilities.