Showing 61 - 80 results of 10,295 for search '(( algorithm ((barrier function) OR (python function)) ) OR ( algorithm model function ))', query time: 0.64s Refine Results
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    Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

    Published 2021
    “…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”
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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

    Published 2025
    “…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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    Codes of the flow distance algorithm "D∞-TLI" and the width function algorithm "MEB" by Pengfei Wu (11627371)

    Published 2023
    “…<p>The JAVA codes of the flow distance algorithm "D∞-TLI" and the width function algorithm "MEB" are provided. …”
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