Repositories list

• pyGCMC

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Dec 29, 2024Dec 29, 2024

• silcs-pathway

  Public
  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Dec 20, 2024Dec 20, 2024

• silcs-protac

  Public
  Data and code for SILCS-PROTAC workflow

  Python

  •

  MIT License

  •0•1•0•0•Updated Dec 10, 2024Dec 10, 2024

• NBFIX_NBTHOLE_test

  Public
  Python

  •0•0•0•0•Updated Nov 23, 2024Nov 23, 2024

• polli-solubility

  Public
  Drug solubility differential equation solvers

  Python

  •

  MIT License

  •0•0•0•0•Updated Nov 22, 2024Nov 22, 2024

• Paper_Ion_Protein_Nucleic-Acids

  Public
  C

  •0•0•0•0•Updated Nov 16, 2024Nov 16, 2024

• Coordinate-Conversion-Tool-For-Alex

  Public
  A coordinate tool app for alex

  Python

  •

  MIT License

  •0•2•0•0•Updated Aug 28, 2024Aug 28, 2024

• FDA-compounds-SILCS-Hotspots-SI

  Public
  SI data repository for the SILCS-Hotspots / druggable sites paper

  binding-siteshotspotssilcs

  0•2•0•0•Updated Aug 6, 2024Aug 6, 2024

• silcs-water

  Public
  Data for article titled "Modeling Ligand Binding Site Water Networks with Site- Identification by Ligand Competitive Saturation"

  0•0•0•0•Updated Aug 2, 2024Aug 2, 2024

• silcsmc-gpu-example

  Public
  Input example for SILCS-MC simulations using the GPU version of the SILCS-MC program

  Batchfile

  •0•0•0•0•Updated Jul 1, 2024Jul 1, 2024

• Open-Source-Data-Template

  Public
  A template for open sourcing your data a long with your paper.

  MIT License

  •2•2•0•0•Updated May 24, 2024May 24, 2024

• ion_model_compound_Zmatrices

  Public
  0•0•0•0•Updated Dec 18, 2023Dec 18, 2023

• .github

  Public
  Our Github Organization Profile

  MIT License

  •0•1•0•0•Updated Dec 18, 2023Dec 18, 2023

• SILCS_AI_Permeability_2023

  Public
  Combining SILCS and Artificial Intelligence for High-Throughput Prediction of Drug Molecule Passive Permeability Data

  BSD 2-Clause "Simplified" License

  •1•2•0•0•Updated Jul 26, 2023Jul 26, 2023

• CharmmResidueNames

  Public
  0•0•2•0•Updated Jul 8, 2023Jul 8, 2023

• GCMC_PME

  Public
  Prediction of ion binding sites using oscillating chemical potential GCMC.

  Shell

  •

  GNU General Public License v3.0

  •1•0•0•0•Updated Apr 7, 2023Apr 7, 2023

• SILCS-FragMaps-hnRP-A18

  Public
  0•0•0•0•Updated Jan 29, 2023Jan 29, 2023

• Pure-Solvent-Templates

  Public
  Rich Text Format

  •0•1•0•0•Updated Nov 28, 2022Nov 28, 2022

• MackerellNamd

  Public
  Python

  •

  Mozilla Public License 2.0

  •0•1•0•0•Updated Oct 31, 2022Oct 31, 2022

• SILCS-MC-Chem-Sci-2021

  Public
  0•2•0•0•Updated Aug 2, 2022Aug 2, 2022

• pyCHARMM-Workshop

  Public
  This repository contains materials for the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24

  Rich Text Format

  •

  MIT License

  •10•0•0•0•Updated Jun 20, 2022Jun 20, 2022

• small_mol_FF_toppar_JCIM

  Public
  Topology and parameter files of small molecules generated by parameter assignment programs for CGenFF, GAFF, and GAFF2.

  Rich Text Format

  •0•4•0•0•Updated May 16, 2022May 16, 2022

• silcs-rna_paper

  Public
  Data for SILCS-RNA paper

  0•0•0•0•Updated Apr 12, 2022Apr 12, 2022

• Herg-Ligands

  Public
  Mozilla Public License 2.0

  •0•0•0•0•Updated Mar 9, 2022Mar 9, 2022

• drude_electrostatic_dnn

  Public
  Python

  •

  BSD 2-Clause "Simplified" License

  •0•6•0•0•Updated Feb 7, 2022Feb 7, 2022

• Tutorial-Repo

  Public
  A repository for practicing github.

  0•1•0•0•Updated Feb 2, 2022Feb 2, 2022

• Cheminformatic-Database-Statuses

  Public
  📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime

  MIT License

  •3•0•0•0•Updated Jul 12, 2021Jul 12, 2021