gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
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Nov 27, 2024 - Python
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gmx
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Username Checker: Easily verify email validity for domains like @yahoo.com, @gmail.com, @mail.com, @gmx.com, @outlook.com, and @hotmail.com. Streamline your business with confidence. By @ahmedmujtaba1.
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Nov 25, 2023 - Python
High Frequency Price Automation for GMX, Using Chainlink Keeper Data Streams
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Oct 26, 2023 - Solidity
Tactic MMIC for energy optimization using gmx
python
optimization
interoperability
gromacs
molecular-mechanics
energy-minimization
gmx
mmic
mmic-optim
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Oct 1, 2021 - Python
Simple scripts for automating some steps of Justin A. Lemkul's tutorial for GMX. Useful mainly for simulations with large series of ligands
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Nov 8, 2021 - Python
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Aug 13, 2021
Docker automated build for GROMACS molecular dynamics program
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Aug 3, 2018 - Dockerfile
Tactic MMIC for force field parameter assignment with gmx
python
interoperability
force-field
gromacs
molecular-mechanics
parameterization
gmx
mmic
mmschema
molssi
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Jun 7, 2021 - Python
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