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Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer generation, 2) QM input file creation, 3) post-processing of QM output files, 4) generation of xTB, DFT and RDKit descriptors. https://aqme.readthedocs.io
Updated
Jul 16, 2024
Python
Orchestrate your Databricks notebooks in Airflow and execute them as Databricks Workflows
Updated
Jun 28, 2024
Python
🧱 A collection of supplementary utilities and helper notebooks to perform admin tasks on Databricks
Updated
Oct 30, 2023
Jupyter Notebook
Jupyter Notebook Kernel for Common Workflow Language
Updated
Aug 23, 2021
Python
Distributed workflows design and execution with Jupyter Notebooks.
Updated
Jul 2, 2024
Python
Useful stable diffusion ComfyUI workflows and notebooks running on Paperspace and Google Collab.
Updated
Oct 14, 2023
Jupyter Notebook
Example workflows using the flowws library
Updated
Jun 22, 2020
Jupyter Notebook
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