Pinned Repositories
2016-12-01-lbl
aykol
bayesmark
Benchmark framework to easily compare Bayesian optimization methods on real machine learning tasks
CAMD
Agent-based sequential learning software for materials discovery
cdk
The Chemistry Development Kit
MPWorks
merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
piro
Software for evaluating pareto-optimal synthesis pathways
PyRank
A python package for rank aggregation methods applied to materials design and selection
structure_view
a chemview wrapper to visualize pymatgen structures in jupyter notebook
mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
aykol's Repositories
aykol/PyRank
A python package for rank aggregation methods applied to materials design and selection
aykol/MPWorks
merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
aykol/structure_view
a chemview wrapper to visualize pymatgen structures in jupyter notebook
aykol/2016-12-01-lbl
aykol/aykol
aykol/bayesmark
Benchmark framework to easily compare Bayesian optimization methods on real machine learning tasks
aykol/CAMD
Agent-based sequential learning software for materials discovery
aykol/cdk
The Chemistry Development Kit
aykol/piro
Software for evaluating pareto-optimal synthesis pathways
aykol/custodian
A simple, robust and flexible just-in-time job management framework in Python.
aykol/datacarpentry.github.io
Website repo
aykol/fireworks
The Fireworks Workflow Management Repo.
aykol/libact
Pool-based active learning in Python
aykol/MatMethods
aykol/MatMiner
data mining for Materials Science
aykol/MPContribs
MP's User Contribution Framework
aykol/MPSentries
code, logs and documentation for MP's workflow and builder sentries
aykol/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.
aykol/pymatgen-db
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
aykol/python-ecology-lesson
:page_with_curl: Data Carpentry Python lessons on ecology
aykol/qmpy
A suite of computational materials science tools.
aykol/skflow
Simplified interface for TensorFlow (mimicking Scikit Learn) for Deep Learning
aykol/tensorflow
Computation using data flow graphs for scalable machine learning