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May 11, 2016 - TeX
molecular-modeling
Here are 157 public repositories matching this topic...
R package for manipulating Protein Data Bank files
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Oct 13, 2016 - R
Molecular modeling repo for projects and publications from the schurerlab
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Jul 19, 2017 - Batchfile
Tutorial to build a membrane with INSANE.
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Jan 31, 2018 - Makefile
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May 24, 2018 - Jupyter Notebook
Scientific posters for conferences and workshops.
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Nov 21, 2018
Papers reading roadmap for anyone whose research in the area of polymer simulations!
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Feb 28, 2019
Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
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Mar 13, 2019 - JavaScript
To identify the lowest (relatively) energy docking sites for a particular ligand using one-dimensional search.
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Mar 16, 2019 - R
Recurrent Units-based Molecular Modeling
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Mar 26, 2019 - Python
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Jul 22, 2019 - Python
RML Introduction to Structural Biology
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Sep 4, 2019
Mirror of pDynamo computational chemistry library
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Sep 10, 2019 - Python
Bayesian Optimization Algorithm for Molecular Conformers
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Oct 30, 2019 - Jupyter Notebook
Atoms In Molecules Neural Network Potential
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Nov 21, 2019 - Python
Predictor for Highest Occupied Molecular Orbital (HOMO) Energy for Organic Photovoltaic Donor Molecules
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Nov 22, 2019 - HTML
Real time monitoring and visualization of Amber MD simulations
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Feb 6, 2020 - Python
Use the MMLigner structural alignment program from within Yasara!
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Feb 27, 2020 - Python
This my personal website
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Apr 8, 2020 - HTML
A software for analysis and fast virtual screen of KEGG_DRUG molecular database of accepted drugs classificated by ATC codes
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Apr 20, 2020 - HTML
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