Pinned Repositories
aenet
Atomic interaction potentials based on artificial neural networks
ase
Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase
aviary
The Wren sits on its Roost in the Aviary.
combined-gnn
Graph neural network for predicting energy of known and hypothetical crystal structures
Ewald
A script to obtain most favored configurations at various ionic concentrations of a cathode material.
httk
The High-Throughput Toolkit (httk) is a toolkit for preparing and running calculations, analyzing the results, and storing the results and outcome in a global and/or in a personalized database.
Hunting-Simulation-Neuro-evolution-neural-network
This is a hunting simulation inspired by "Renolds boids" . The idea is to implement a machine learning frame work to teach the predators to hunt its prey; The implementation is focused on Neuro-evolution.
megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Webpage_update_alert
A quick and dirty method to get an alert if a given website has updated.
Abhivega's Repositories
Abhivega/Hunting-Simulation-Neuro-evolution-neural-network
This is a hunting simulation inspired by "Renolds boids" . The idea is to implement a machine learning frame work to teach the predators to hunt its prey; The implementation is focused on Neuro-evolution.
Abhivega/aenet
Atomic interaction potentials based on artificial neural networks
Abhivega/ase
Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase
Abhivega/aviary
The Wren sits on its Roost in the Aviary.
Abhivega/combined-gnn
Graph neural network for predicting energy of known and hypothetical crystal structures
Abhivega/Ewald
A script to obtain most favored configurations at various ionic concentrations of a cathode material.
Abhivega/httk
The High-Throughput Toolkit (httk) is a toolkit for preparing and running calculations, analyzing the results, and storing the results and outcome in a global and/or in a personalized database.
Abhivega/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Abhivega/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Abhivega/Webpage_update_alert
A quick and dirty method to get an alert if a given website has updated.
Abhivega/e3nn_tutorial
repository and website for tutorials on 3d Euclidean equivariant neural networks
Abhivega/Europass-webscraper
Search the Eropass job postings for given keywords
Abhivega/hands-on-2-docs
Hands-on exercise 2 documentation repository
Abhivega/m3gnet
Universal material graph interatomic potential with three-body interactions
Abhivega/mint
Materials Interface: methods in computational materials science
Abhivega/nfp
Keras layers for end-to-end learning on molecular structure.
Abhivega/phonopy
Phonon code
Abhivega/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.
Abhivega/PyXtal
A code to generate atomic structure with symmetry
Abhivega/qmpy_rester
A toolkit for querying data in OQMD.
Abhivega/TuRBO
Abhivega/xrd-symmetry-prediction
Symmetry prediction and knowledge discovery fromX-ray diffraction patterns using an interpretable machine learning approach
Abhivega/yaspi
yaspi - Yet Another Slurm Python Interface