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1. daily-literature-digest daily-literature-digest Public

   Daily literature digest - organic chemistry, total synthesis, medicinal chemistry, DEL

   Python

2. 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.

   Jupyter Notebook 59 10

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

   Jupyter Notebook 4 1

4. Dock-MD-FEP3 Dock-MD-FEP3 Public

   Protein-ligand ABFE calculation. In Dock-MD-FEP, Yank was used but the maintainence has stopped. In this repo, OpenFE was used to replace Yank.

   Python 1 1

5. labodock_binder labodock_binder Public

   Open-sourced docking for small molecule to protein target. It prioritizes enhanced user-friendliness and accessibility.

   Jupyter Notebook 8 3

6. CL4R1T4S CL4R1T4S Public

   Forked from elder-plinius/CL4R1T4S

   LEAKED SYSTEM PROMPTS FOR CHATGPT, GEMINI, GROK, CLAUDE, PERPLEXITY, CURSOR, DEVIN, REPLIT, AND MORE! - AI SYSTEMS TRANSPARENCY FOR ALL! 👐

   1