jkleinekorte
Interested in Cheminformatics, Bayesian Optimization, Material Discovery, and sustainability topics @evonik-dev @experimental-design
Evonik Operations GmbHMarl
jkleinekorte's Stars
anthropics/courses
Anthropic's educational courses
geekan/MetaGPT
🌟 The Multi-Agent Framework: First AI Software Company, Towards Natural Language Programming
infiniflow/ragflow
RAGFlow is an open-source RAG (Retrieval-Augmented Generation) engine based on deep document understanding.
datamol-io/datamol
Molecular Processing Made Easy.
matteocourthoud/cv-latex-template
My personal template for a one-page cv in latex
YouMayCallMeJesus/AspenPlus-Python-Interface
Aspen Plus - Python interface which acts as an API to automate the design synthsis. It includes all variables for RADFRAC, DSTWU, Flash2, RYield, RPlug, RCSTR, Heater, Mixer, Splitter. It includes a optimization library implementation from scipy
blue-yonder/tsfresh
Automatic extraction of relevant features from time series:
experimental-design/bofire
Experimental design and (multi-objective) bayesian optimization.
SECQUOIA/gdplib
An open library of Generalized Disjunctive Programming (GDP) models
google/latexify_py
A library to generate LaTeX expression from Python code.
sparks-baird/self-driving-lab-demo
Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-channel spectrophotometer, a microcontroller, and an adaptive design algorithm, as well as extensions to liquid- and solid-based color matching demos.
basf/doe
Python package for flexible generation of D-optimal experimental designs
materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
uber-research/TuRBO
brightway-lca/brightway2
Metapackage for brightway2 imports and documentation
LocalEnergyMarkets/PCDGModel-LocalCommunities
john-bradshaw/synthesis-dags
Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
feos-org/feos
FeOs - A Framework for Equations of State and Classical Density Functional Theory
PyPSA/PyPSA
PyPSA: Python for Power System Analysis