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LLM-DFT-input-generation
LLM-DFT-input-generation PublicForked from ddmms/LLM-DFT-input-generation
Here we plan use LLMs to generate input files for different DFT packages
Jupyter Notebook 1
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SCFT
SCFT PublicThis is a minimalist script to solve self-consistent field theory equations for simulation of microphase separation in block copolymers
Python
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ICSDClient
ICSDClient PublicForked from lrcfmd/ICSDClient
A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/index.xhtml for further details.
Python
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