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iskoldt-X/README.md
Terminal window. Prompt: whoami. Output: Binghan Xiao, AI / Agentic Engineer, PhD KU/SUND, GPCRdb developer, Copenhagen DK.

I build software for bioinformatics, computational drug discovery and structural biology. Most recently an AI-driven annotation pipeline where I designed a voting system, and deterministic validators that overrule the AI. Open to AI / agentic engineering, data engineering, data science and scientific software roles in the Copenhagen area.

based in focus


$ whoami

I'm a PhD researcher (Drug Design & Pharmacology, University of Copenhagen / SUND) and a GPCRdb developer. GPCRdb is the reference database for a receptor family that's the target of roughly a third of approved drugs, and I build the software behind it. Lately that includes an AI layer that has to earn a scientist's trust field by field, not just look good in a demo -- deterministic validators, audit trails, human-in-the-loop review.


Flagship work

Two side-by-side terminal panes. Left: GPCR Annotation Tools, 214 commits, solo-authored -- a Gemini model proposes each structural-annotation field, deterministic validators hold veto power over every one, every override written to an append-only audit trail; being deployed, NAR manuscript submitted, first author. Right: the container platform GPCRdb runs on, 10 PRs merged, 43 stars and 75 forks -- Django plus RDKit-PostgreSQL, health-check-gated startup, multi-architecture images, and a 36-cell Python by Django by RDKit compatibility matrix automated in CI, across two container repositories of his own plus 10 PRs merged into the upstream GPCRdb codebase.

GPCR Annotation Tools is an AI-driven annotation pipeline for GPCR structural data. Gemini proposes each field; a chain of deterministic validators can overrule any of them against an external database or a computed value, and every override is logged for human review. Started as a fork of the GPCRdb team's repository, all 214 commits are mine, 8 PRs merged upstream. Being deployed into GPCRdb; NAR manuscript submitted (first author). repository  ·  merged PRs

The container platform GPCRdb runs on. Django + RDKit-PostgreSQL, health-check-gated startup, multi-architecture images, and a 36-cell Python x Django x RDKit compatibility matrix that runs automatically in CI on every push. Ten of my PRs are merged into protwis/protwis (43 stars, 75 forks). merged PRs  ·  protwis_django_docker  ·  postgres_rdkit_docker


More

A tree listing of three kinds of evidence. pre-computation-pipeline: a private codebase with no public repo, staged SLURM jobs with explicit contracts, resumable, about 250 automated tests plus a golden-fixture regression suite, built on the licensed Schrodinger Suite. viral-genomes-LSTM: MSc research, PyTorch sequence models trained on HPC over 15.6 million GISAID SARS-CoV-2 genomes, Gene 2024 volume 916:148426, first author. Plasmer: co-developed as third author, a Random Forest classifier for plasmid host-range prediction, 56 citations, 1.1 thousand Docker pulls.

A pre-computation pipeline for molecular modeling runs as a private codebase, with staged jobs on an HPC cluster under SLURM for the licensed Schrodinger Suite, explicit contracts between stages, idempotent and resumable, and about 250 automated tests plus a golden-fixture regression suite that catches drift after a vendor upgrade. No public repository to link.

LSTM models over 15.6 million viral genomes, from my MSc research -- sequence models in PyTorch, trained on HPC, tracking SARS-CoV-2 evolutionary dynamics across the full GISAID corpus. paper (DOI)  ·  code snapshot (Gene, 2024, 916:148426, first author)

I co-developed Plasmer as third author, a Random Forest classifier for plasmid host-range prediction that other labs now run in production (Microbiology Spectrum, 56 citations, 1,100+ Docker pulls). repository


AI at work, AI at play

A grid of six side projects. ankidkdeck, 11 stars, a 3,000-word Danish core-vocabulary Anki deck with IPA and audio. DR-LRC, local Whisper transcription of Danish public-radio audio. BifrostLingua, a smaller Danish-learning helper tool. savebot, 5 stars, a Telegram bot containerized with Docker. iskoldtbark, a push-notification CLI for my own automation pipelines. SRUN-authenticator, 78 stars, auto-login for a campus network gateway, and where my coding started.

ankidkdeck stars

A 3,000-word Danish core-vocabulary Anki deck generated with IPA and audio.

DR-LRC

Local Whisper transcription of Danish public-radio audio into subtitles.

BifrostLingua

A smaller Danish-learning helper tool.

savebot stars

iskoldtbark

A push-notification CLI for my own automation pipelines.

SRUN-authenticator stars

Auto-login for a campus network gateway, and where my coding started.


Stack

Core

Python Django Docker PostgreSQL GitHub Actions Git Linux SLURM/HPC

AI / ML

Gemini API Tool Calling Structured Output Evaluation & Audit Design MCP PyTorch Machine Learning

Cloud (used, not deep)

Google Cloud Oracle Cloud


If you're building AI that has to earn trust in a regulated or scientific setting, I'd like to hear about it -- reach out here on GitHub.

LinkedIn

Pinned Loading

  1. protwis/GPCR-annotation-tools protwis/GPCR-annotation-tools Public

    A production-ready, human-in-the-loop curation suite for GPCR structure annotations. It provides GPCR structure experts with an interactive CLI dashboard to review, validate, and export AI-generate…

    Python 1 1

  2. postgres_rdkit_docker postgres_rdkit_docker Public

    Forked from ismaelresp/docker-postgres-rdkit

    PostgreSQL Docker image with RDKit cartridge

    Dockerfile 1

  3. protwis_django_docker protwis_django_docker Public

    Python runtime environment for the protwis Django application (GPCRdb). Companion to docker-postgres-rdkit.

    Python 2

  4. nekokoe/Plasmer nekokoe/Plasmer Public

    An accurate and sensitive bacterial plasmid identification tool based on deep machine-learning of shared k-mers and genomic features.

    Perl 50 5

  5. DR-LRC DR-LRC Public

    A Python script to download DR LYD audio, generate subtitles using Whisper, convert the subtitles to LRC lyrics format, and embed these lyrics into the MP3 file.

    Python 1

  6. SRUN-authenticator SRUN-authenticator Public

    校园网深澜认证Python 脚本,支持Docker 旨在方便同学们的日常使用。默认国科大UCAS,其他学校也可以使用。

    Python 78 10