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1. labodock_binder labodock_binder Public

   Open-sourced, this workflow stands out as one of the premier methods for generating protein-ligand interaction images. With direct accessibility through your browser, it prioritizes enhanced user-…

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2. Bromide-iodine Bromide-iodine Public

   This is an online tool to calculate partial charge distribution of a small molecule with quantum chemistry package Psi4, Bromide and iodine contained structure supported.

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3. Dock-MD-BPMD Dock-MD-BPMD Public

   Open-sourced. A cloud-based workflow to evaluate the confidence of a given docked pose with binding pose metadynamics

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4. Dock-MD-FEP Dock-MD-FEP Public

   Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertubation with OpenMM.

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5. Smiles_to_Structure Smiles_to_Structure Public

   This script reads a list of SMILES (Simplified Molecular Input Line Entry System) strings from a file, converts them into chemical structures using RDKit, and displays the structures as images dire…

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6. Pymol_Script Pymol_Script Public

   This straightforward and robust script equips you to effortlessly generate protein-ligand interaction images.