Alternatives and similar repositories for awesome-design-of-experiments

Users that are interested in awesome-design-of-experiments are comparing it to the libraries listed below

• sebhaan / DoEgen
  DoEgen: A Python Library for Optimised Design of Experiment Generation and Evaluation
  ☆90Updated last month
• ulissigroup / math-methods-chemical-engineering
  Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…
  ☆22Updated 2 years ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆26Updated 4 years ago
• edgarsmdn / GH-GNN
  Gibbs-Helmholtz Graph Neural Network
  ☆17Updated last year
• bjmorgan / python_in_chemistry
  ☆11Updated last month
• materials-data-facility / awesome-bayesian-optimization
  ☆39Updated last year
• usnistgov / feasst
  The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…
  ☆40Updated 3 weeks ago
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆27Updated this week
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆30Updated 10 months ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆38Updated 2 weeks ago
• Andrew-S-Rosen / cbe504
  CBE 504 at Princeton
  ☆16Updated last month
• usccolumbia / materialsUQ
  Uncertainty Quantification for Materials Property Prediction: a Benchmark Study
  ☆14Updated 9 months ago
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆17Updated last year
• aspuru-guzik-group / Beyond-Molecular-Structure-ML-for-OPV-Materials-Devices
  ☆14Updated last year
• basf / doe
  Python package for flexible generation of D-optimal experimental designs
  ☆12Updated 2 years ago
• SimonEnsemble / data_science_course
  CHE 599 at Oregon State University
  ☆21Updated 4 years ago
• aspuru-guzik-group / golem
  Golem: an algorithm for robust experiment and process optimization
  ☆17Updated 4 years ago
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆11Updated 10 months ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week
• MolSSI-Education / python-package-best-practices
  Hands-on workshop showing good software development practices to create a Python package.
  ☆41Updated last year
• glotzerlab / freud-examples
  Examples for the freud library.
  ☆14Updated 3 weeks ago
• lmmentel / chemtools
  Python tools for quantum chemical calculations
  ☆17Updated last year
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 2 years ago
• nlesc-nano / CAT
  A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
  ☆19Updated this week
• theochem / denspart
  Atoms-in-molecules density partitioning schemes based on stockholder recipe
  ☆22Updated this week
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated last week
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆83Updated 2 weeks ago