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Hi there, I'm @SameeUllah GIF

Proteins structures are amazing. They fold and interact with other molecules in intricate ways that determine their functions and roles in health and disease. I love to explore these fascinating biomolecular systems using state-of-the-art methods and approaches. I have a strong background in structural modeling, de-novo design, simulations and binding affinity. I am always eager to collaborate on research projects that involve some exciting proteins structures.

                          

Skills

Linux Bash Python R MATLAB LaTeX

💻

Operating Systems

📫 Like to meet me?

Pick a slot if you'd like to meet me and chat about protein structures or anything you are passionate about -

meet_link

📫 How to reach me: [email protected]

Samee Ullah's Projects

alphafold3 icon alphafold3

Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

alphafoldtemplate icon alphafoldtemplate

Custom scripts for running AlphaFold in single sequence template mode using the EvoPro implementation

alphappimd icon alphappimd

Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks

bionemo icon bionemo

For managing BioNeMo Service Example notebooks

cheminformatics icon cheminformatics

Facilitates searching, screening, and organizing large chemical databases

difflinker icon difflinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

equidock_public icon equidock_public

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

gptpulldown icon gptpulldown

A web app that finds possible binders of a protein using GPT language model.

mldl-md-dynamics icon mldl-md-dynamics

A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.

pcmol icon pcmol

Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

progen2-finetuning icon progen2-finetuning

Finetuning ProGen2 protein language model for generation of protein sequences from selected protein families.

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