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OPLS-AAM
OPLS-AAM PublicForked from leelasd/OPLS-AAM
Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files
Python
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GOMC
GOMC PublicForked from GOMC-WSU/GOMC
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
C++
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reproducibility_study
reproducibility_study PublicForked from mosdef-hub/reproducibility_study
Repo for data collection, discussion, etc for a MoSDeF reproducibility study.
Python
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foyer
foyer PublicForked from mosdef-hub/foyer
A package for atom-typing as well as applying and disseminating forcefields
Python
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iCoMSE-DFT-Catalysis-School
iCoMSE-DFT-Catalysis-School PublicForked from MSELRai/iCoMSE-DFT-Catalysis-School
Collection of Tutorials and Lectures from the DFT Catalysis School hosted at Mississippi State University, June 2022
Vim Script
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paper-qa
paper-qa PublicForked from whitead/paper-qa
LLM Chain for answering questions from documents with citations
Python
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