Awesome Protein Representation Learning

Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019

Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction"

pmUE (Protein Modelling Unreal Engine) - a repo for constructing a molecule visualizer plugin in Unreal

Large-Scale Computational Modeling of H5 Influenza Variants Against HA1-Neutralizing Antibodies

noodle-strut is an interactive 3D printing structural support module for PyMOL

Hybridized distance- and contact-based hierarchical protein folding

Designed for batch submission of multiple target sequences using a single structural template in SwissModel

Integrated Bioinformatics and Computer-Aided Drug Design (CADD) workflow for identifying conserved therapeutic targets and potential inhibitors against Mpox virus.

Protein Structure Prediction Toolkit A Python-based tool to fetch, parse, and analyze protein 3D structures using PDB IDs. It downloads .pdb files from RCSB, extracts chain and residue information using BioPython, and sets the foundation for future integration with AlphaFold2 and structural analysis tools.

AI/ML Graduate Student @ ASU | Scientific Developer @ Cadence | Specializing in GenAI, CUDA, Protein Modeling & Deep Learning

Structural Bioinformatics Course @UAM

Protein–ligand interaction prediction using Metropolis simulations and machine learning models across molecular datasets

🤖 Explore advanced AI and machine learning solutions for protein modeling and medical applications, developed by a dedicated data science graduate student.

StrBio@UAM

Learning project for protein modeling and BioAI using Python, Biopython, and ESM models

Visualizing the 6KIX Histone Protein using PyMOL – includes annotated movie scenes.

Multi-phase peptide ML pipeline for hemolysis prediction, generative design, and closed-loop optimization, built on transformers and modern PyTorch tooling.

Local-first protein modeling workbench for building, validating, and handing off AlphaFold-style structure-prediction jobs.