awoonor

Pinned Repositories

• 2021-04-22-qmmm-gromacs-cp2k

  Repository for April 2021 training course in QM/MM simulation with GROMACS+CP2K

  Language:Python00

• 2022-11Nov-first-steps

  Language:Jupyter Notebook00

• 300Days__MachineLearningDeepLearning

  I am sharing my Journey of 300DaysOfData in Machine Learning and Deep Learning.

  00

• ABFE_workflow

  Language:Python00

• acs-2023-ntbk_MolSSI

  Language:Jupyter Notebook00

• alchemical-analysis

  An open tool implementing some recommended practices for analyzing alchemical free energy calculations

  Language:Python00

• AMBER-parameters-database

  Each parameter set is defined by an OFF and FRCMOD file.

  00

• Applied-Data-Science-with-Python-Specialization

  This project includes 5 courses from Coursera about Machine Learning. I finished 4 of them, and I am still updating the last one...

  Language:Jupyter Notebook00

• Applied-Data-Science-with-Python-Specialization_UMich_FullCourse

  The 5 courses in this University of Michigan specialization introduce learners to data science through the python programming language. This skills-based specialization is intended for learners who have a basic python or programming background, and want to apply statistical, machine learning, information visualization, text analysis, and social net

  Language:Jupyter Notebook00

• Cys-pKa-MD-calculations

  Automate Cys pKa Molecular Dynamics Calculations

  Language:Python11

awoonor's Repositories