Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by kjappelbaum
A curated list of projects in awesome lists by kjappelbaum .
https://github.com/kjappelbaum/gptchem
ai chemistry gpt-3 hacktoberfest language-interfaced-fine-tuning lift material-science ml
Last synced: 21 Dec 2024
https://github.com/kjappelbaum/mofdscribe
An ecosystem for digital reticular chemistry
artificial-intelligence benchmark data-science descriptors featurization hacktoberfest machine-learning metal-organic-frameworks metrics ml mof porous-materials reticular-chemistry splitting
Last synced: 16 Dec 2024
https://github.com/kjappelbaum/pyepal
Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
active-learning hacktoberfest machine-learning multiobjective pareto python
Last synced: 20 Dec 2024
https://github.com/kjappelbaum/ml_molsim
Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
hands machine-learning mof tutorial
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/moffragmentor
Split a MOF into its building blocks.
graph materials-science metal-organic-frameworks mof
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/element-coder
Encode chemical elements numerically and decode numerical representations of elements.
chemical-elements chemistry decoding encoding hacktoberfest pettifor
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/structuregraph-helpers
Helpers for working with pymatgen structure graphs.
chemistry computational-materials-science graph materials-informatics materials-science pymatgen structure structure-graph
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/oximachinerunner
An easy API for using oximachine.
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/oximachine_featurizer
featurizing MOFs for the oximachine
csd machine-learning mofs oxidation-states oximachine
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/webmofchecker
Web app and API for the mofchecker tool
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/pyprocessta
Python process timeseries analysis
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/water_isotherm_workchains
AiiDA workchains for (water) adsorption isotherms
aiida gcmc materials-science md monte-carlo-simulation raspa zeopp
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/colorcal
JS package to perform (semi)-automatic color calibration
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/gptchem-matbench
Running gptchem on the matbench tasks
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/molsim-ml-code-examples
Code examples used in the ML course of the MolSim winterschool
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/mof_vacuum_level
Estimate the vacuum level in MOFs (experimental)
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/materials_data_science_cookiecutter
A cookiecutter to quickstart ML projects in materials science
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/amp_fork
My amp (https://bitbucket.org/andrewpeterson/amp) fork
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/elnbot
Proof-of-concept for a telegram bot interacting with an ELN
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/aiida_dashboard
small flask app as a dashboard for the aiida daemon in the browser
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/colorjeopardy
Dash app that allows to pick colors.
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/experimentaldesigner
small web app to make it easier for experimentalists to generate experimental designs. Powered by syncofinder and pydoe.
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/eln.epfl.ch
eln.epfl.ch without cheminfo proxy
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/aiida-compressedsinglefiledata
small singlefiledataclass
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/chemicaldata
jsons with chemical data that are useful to have
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/find_rod_mofs
filter structures with metal channels out of structural databases
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/colorcalibrator
colorcalibration in a dash app
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/spec_data_processing_functions
functions for processing of spectroscopy data
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/permutationplotter
Plots columns of a dataset - also in a permuted version.
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/dls-analysis
Parsers and analysis tools for dynamic light scattering
Last synced: 09 Nov 2024
https://github.com/kjappelbaum/filter_references
Narrow down relevant journal references from a bibliography.
Last synced: 09 Nov 2024