LindseyLab

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1. chimes_calculator-LLfork chimes_calculator-LLfork Public

   Forked from rk-lindsey/chimes_calculator

   Tools to interface ChIMES with various external codes.

   C++ 19

2. chimes_lsq-LLfork chimes_lsq-LLfork Public

   Forked from rk-lindsey/chimes_lsq

   Tools to develop ChIMES parameter sets

   DIGITAL Command Language 18

3. al_driver-LLfork al_driver-LLfork Public

   Forked from rk-lindsey/al_driver

   AI-driven framework for automated ChIMES model development

   Python 16

4. chimes_CGD chimes_CGD Public

   Tools to compute the Cluster Graph Dissimilarity Metric based, which are based on the ChIMES descriptors.

   Python 3

5. chimes_calculator-LLfork-For_Merge chimes_calculator-LLfork-For_Merge Public

   Forked from LindseyLab-umich/chimes_calculator-LLfork

   Main branch -- ignored for now

   C++

6. Insights_from_ML_Accel_DFT-Workflows Insights_from_ML_Accel_DFT-Workflows Public

   Example scripts for running high pressure phase diagram prediction, used for DOI: https://doi.org/10.26434/chemrxiv.15004032/v1

   Python 1