Pinned Repositories
ARCANA
Package for the early-stage analysis and lifecycle monitoring of battery degradation
mamba-tabular
Mambular is a Python package that simplifies tabular deep learning by providing a suite of models for regression, classification, and distributional regression tasks. It includes models such as Mambular, TabM, FT-Transformer, TabulaRNN, TabTransformer, and tabular ResNets.
mlipx
Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside powerful visualization and comparison tools.
MolPipeline
A Python package for processing molecules with RDKit in scikit-learn
mopti
Lightweight tools for experimental design and multi-objective optimization.
pyTEM
Control and Automation of Transmission Electron Microscopes
reactflush
Create a visual overview of all reactive elements in your Shiny app
rfieldclimate
An R client for Fieldclimate API
rweatherlink
An R client for the weatherlink API
svelte-spectre
UI-kit based on *spectre.css* and powered by *svelte*
basf's Repositories
basf/mamba-tabular
Mambular is a Python package that simplifies tabular deep learning by providing a suite of models for regression, classification, and distributional regression tasks. It includes models such as Mambular, TabM, FT-Transformer, TabulaRNN, TabTransformer, and tabular ResNets.
basf/MolPipeline
A Python package for processing molecules with RDKit in scikit-learn
basf/mlipx
Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside powerful visualization and comparison tools.
basf/mopti
Lightweight tools for experimental design and multi-objective optimization.
basf/ARCANA
Package for the early-stage analysis and lifecycle monitoring of battery degradation
basf/svelte-spectre
UI-kit based on *spectre.css* and powered by *svelte*
basf/doe
Python package for flexible generation of D-optimal experimental designs
basf/pyTEM
Control and Automation of Transmission Electron Microscopes
basf/metis-gui
Modular standalone fat-client GUI for X-ray diffraction data simulations, analysis, and sharing
basf/neural-fingerprint-uncertainty
basf/precomplex_generator
The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.
basf/metis-backend
Scientific server implementation for the cloud environment
basf/metis-bff
Backend-for-frontend for Metis
basf/EPPOontology
Ontology for the respresentation of the information available in the EPPO Global Database.
basf/pytopas
Bruker's TOPAS X-ray diffraction calculations parser
basf/cheminformatics_ci_cd_template
A CI/CD template for python projects using github actions
basf/mbo
basf/rormula
Formula parser and evaluator for Wilkinson Notation and dataframes arithmetics
basf/rzentra
An R client for Zentra Cloud API
basf/chemteb
ChemTEB: Chemical Text Embedding Benchmark
basf/EnzSolvStab
Studying Enzyme stability in organic co-solvents
basf/expression_explorer
basf/mlipx-hub
The home of mlipx recipes and result data that can be updated by community members with new models and testing protocols. This repo can then be used with remote zndraw portal for quick visualization and analysis.
basf/rfieldclimate
An R client for Fieldclimate API
basf/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
basf/pore_forming_protein_DLM
basf/xeredar
Functions for automated statistical analysis of Xenopus Eleutherembryonic Thyroid Assays (XETA), Rapid Androgen Disruption Activity Reporter (RADAR) assays and Rapid Estrogen Activity In Vitro (REACTIV) assays.
basf/.github
basf/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
basf/shinyshval