tica
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🚂 Python API for Emma's Markov Model Algorithms 🚂
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Sep 11, 2023 - Python
🏗️ Statistical models for biomolecular dynamics 🏗️
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Jan 26, 2021 - Python
IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook
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Feb 14, 2019 - Python
How one can use binary classifiers, variational auto-encoder, TICA, PCA, distance and dihedral order parameters as CVs in context of pepsin-like aspartic proteases e.g. BACE1 and plasmepsin-II.
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Feb 15, 2021 - Jupyter Notebook
tICA to capture local loop motion. Describes how to analyse loop movement using TICA and how to run PT-Metad using TIC vectors
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Nov 25, 2020 - Jupyter Notebook
Enhancement project for TICA, and web application for external users
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Aug 7, 2018 - JavaScript
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