Skip to content
View MauricioCafiero's full-sized avatar
💭
Building protein tools and AI Agents
💭
Building protein tools and AI Agents
8 followers · 3 following

Block or report MauricioCafiero

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Maximum 250 characters. Please don't include any personal information such as legal names or email addresses. Markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Pinned Loading

  1. CafChem CafChem Public

    Libraries/modules for the CafChem tools for computational chemistry/drug design.

    Jupyter Notebook 1

  2. CafChemTeach CafChemTeach Public

    Notebooks and such for the Module Python, Machine Learning and AI for Chemistry

    Jupyter Notebook 1

  3. MoDrAg MoDrAg Public

    A modular drug-design AI Agent: dock ligands, predict IC50, generate novel ligands, and query APIs for info!

    Python

  4. UMADock UMADock Public

    Docking molecules in protein binding sites using Meta's UMA MLIP as the energy scoring function. Also runs with an AI Agent.

    Jupyter Notebook

  5. CafChemQuantum CafChemQuantum Public

    Quantum Computing practice / teaching code in Q#, Qiskit and Cirq

    Jupyter Notebook

  6. Gaussian16-Scripts-and-Functions Gaussian16-Scripts-and-Functions Public

    Useful bash functions and scripts for running Gaussian 16 on Linux

    Shell 4