OFFICIAL: AnteChamber PYthon Parser interfacE
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Feb 18, 2026 - Python
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Python interface of cpptraj
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Mar 6, 2026 - Jupyter Notebook
A python package for computer-aid drug design.
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Nov 21, 2025 - Python
Real time monitoring and visualization of Amber MD simulations
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Feb 6, 2020 - Python
🛠️ Create and manage AI agent identities with the Agent Commerce Protocol CLI for service trading and token launching on the Base chain.
python rust personal osdev permission ambermd ambertools cns android-check-permission android-permission xplor avax clawdbot clawdhub moltbot moltbot-skills
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Apr 23, 2026 - TypeScript
This my personal website
machine-learning molecular-dynamics molecular-dynamics-simulation drug-discovery drug-repurposing drug-design gromacs ambermd ambertools molecular-modeling machinelearning-python
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Apr 8, 2020 - HTML
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Dec 18, 2019 - Shell
Amber force field parameters (based on ff99) for tRNAs
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Aug 1, 2017
Stochastic Global Multi-Variable Multi-Objective Optimization
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May 23, 2022
Automatic Electronic Lab Notebook logger for computational chemistry HPC clusters. Integrates Slurm job submission with eLabFTW via auto-parsing of Quantum chemistry input/output files.
computational-chemistry cp2k ambermd slurm-cluster elabftw electronic-lab-notebook orca-quantum-chemistry molpro
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Apr 22, 2026 - Python
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