New training strategies for energy minimization methods with learnable parameters (ICCV 2019)
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Updated
Dec 4, 2019 - Jupyter Notebook
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energy-minimization-methods
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A user-friendly application for precise conformation sampling
machine-learning computational-chemistry python-application workflow-automation autonomy molecular-modeling ion-mobility-spectrometry energy-minimization-methods gas-phase-molecules conformation-generation conformational-sampling
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Dec 13, 2024
Gas phase molecular charge state predictor
machine-learning computational-chemistry python-application structure-prediction molecular-modeling protonation ion-mobility-spectrometry energy-minimization-methods gas-phase-molecules
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Dec 13, 2024
📉🏞️ Steepest Descent Algorithm for Water Molecules Energy Minimization 🔍🌊
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Mar 21, 2024 - Jupyter Notebook
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