Skip to content
View 0rkhann's full-sized avatar
💻
cooking code
💻
cooking code
3 followers · 3 following

Achievements

Achievement: Pull Sharkx3Achievement: Pair Extraordinairex3Achievement: YOLOAchievement: Quickdraw

Achievements

Achievement: Pull Sharkx3Achievement: Pair Extraordinairex3Achievement: YOLOAchievement: Quickdraw

Highlights

  • Pro

Block or report 0rkhann

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.

Content in all repositories owned by your account will be closed.
Maximum 250 characters. Please don’t include any personal information such as legal names or email addresses. Markdown is supported. This note will only be visible to you.
Report abuse

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

Report abuse
0rkhann/README.md

Orkhan Abdullayev · Chemoinformatics · ML Engineering

$ whoami

orkhan = {
    "role":         "PhD student · Lab de Chémoinformatique, Université de Strasbourg",
    "working_on":   "chemlit, an AI research agent: literature → hypotheses → code → results",
    "into":         ["LLM agents for chemistry", "de novo molecular design",
                     "chemical space analysis", "bayesian optimisation",
                     "microkinetic modelling"],
    "open_to":      ["research collaborations", "internships"],
    "email":        "orkhan.abdullayev@etu.unistra.fr",
}

$ pip list --toolbox

Toolbox as a periodic table, each tile a tool: Python, RDKit, PyTorch, scikit-learn, Linux, Docker, GTM, Bayesian Optimisation, RAG, AI Agents, Claude, Git, AWS

Pinned Loading

  1. MicroKatc MicroKatc Public

    Automated microkinetic analysis of interconnected catalytic cycles from DFT outputs: apparent activation energy, degree of rate control and catalyst speciation (ACS Catal. 2025)

    Python 3

  2. nhc-bo-benchmark nhc-bo-benchmark Public

    Bayesian optimisation benchmark for N-heterocyclic carbene design on xTB binding free energies: FABO, PCA, PLS and OPLS against a vanilla GP and model-free controls on DFT descriptors, ChemBERTa-2 …

    Python

  3. neptune neptune Public

    Forked from schwallergroup/saturn

    Branch of SATURN for Peptidomimetics Design (NEPTUNE)

    Python