2-Day Advanced Chemoinformatics Masterclass

Bridging GUI Tools to Programmatic Workflows in Computational Drug Discovery.

The Insilico Lab presents an intensive, hands-on 2-day masterclass designed to transform your drug discovery workflows from graphical interfaces into reproducible, scalable Python pipelines: Master RDKit and modern chemoinformatics techniques to accelerate molecular screening, library curation, and property prediction.

About the Program 

This masterclass is the ideal next step for researchers who have completed The Insilico Lab's 3-Week Virtual Research Training in CADD or who possess equivalent foundational knowledge in drug discovery.

Participants will learn to replicate and automate the GUI-based workflows they've mastered (PubChem queries, SwissADME screening) using production-grade Python code. Over two intensive days, you'll transition from manual, point-and-click analysis to building reusable computational pipelines for compound library curation, molecular descriptor calculation, and automated druglikeness screening.

This is not a molecular dynamics or docking course. It is a focused, Python-centric deep dive into RDKit, chemical informatics, and data-driven drug discovery workflows.

Program at a Glance

• Duration: 2 Days (2 hours of instruction per day)

• Format: Fully Virtual (Live Zoom Sessions + Interactive Google Colab Notebooks).

• Prerequisites: Completion of The Insilico Lab 3-Week CADD program, or equivalent foundational knowledge in drug discovery.

• Technology: Python 3, RDKit, PubChemPy, Google Colab (no local software installation required).

• Training Style: Hands-on, code-driven, with heavy scaffolding for beginners to intermediate Python users.

Skills You Will Develop

By the end of the masterclass, participants will:

• Write Python code to parse and manipulate molecular structures confidently.

• Convert manual GUI-based workflows into automated scripts.

• Query public chemical databases programmatically.

• Calculate and interpret key molecular descriptors for drug discovery.

• Visualize molecular structures and property distributions.

• Document and share reproducible analysis workflows.

Who Should Apply?

This masterclass is designed for:

• Participants who completed The Insilico Lab 3-Week CADD training.

• Early-career researchers with foundational knowledge of drug discovery concepts

• Graduate or advanced undergraduate students in chemistry, biochemistry, pharmacy, or related fields.

• Professionals transitioning from manual analysis to programmatic workflows.

Prerequisites:

• 🔹 Familiarity with basic drug discovery concepts (SMILES, druglikeness, molecular properties)

• 🔹 Beginner-to-intermediate Python experience (or willingness to learn quickly in context)

• 🔹 Access to a modern web browser (Google Chrome, Firefox, or Safari)

Not required:

• Prior Python expertise (foundational concepts will be taught in context).

• RDKit or chemoinformatics knowledge (you'll learn from first principles).

• Local software installation (everything runs in Google Colab).

Program Outcomes

Participants will receive:

• Certificate of Completion documenting mastery of RDKit and chemoinformatics workflows.

• Google Colab Notebooks: Fully commented, production-ready code you can adapt for your own research.

• Reusable Code Templates: Functions and pipelines for compound library curation and screening.

• Continued Access to Community: Membership in The Insilico Lab alumni network and future advanced workshops.

Application Requirements

Applicants must submit via the application form:

• Curriculum Vitae (CV): A brief overview of your background (1–2 pages)

• Statement of Interest (200 words): Tell us:

  • Your drug discovery background and motivation for this course

  • What you hope to build or automate with Python

  • How chemoinformatics fits into your research goals

• Programming Background (Brief): Describe your experience with Python or similar programming languages (no experience is required; honesty helps us support you better).

Important Date 

🗓 Application Deadline: August 24th, 2026 (1:00 PM WAT).

Training Schedule

The training will run from 29th August 2026 to 30th August 2026.

Training Days and Times (WAT):

Saturday: 11:00 AM – 1:00 PM

Sunday: 2:00 PM – 4:00 PM

Program Cost: The program is free, and the certificate is free.

How to Apply:

👉 Apply here

How to Apply:

👉 Apply here

Contact Information

For questions or additional information:

📧 Email: contact@theinsilicolab.org

📧 Email: theinsilicolab@gmail.com

📱 Phone: +234 810 180 9859

🌐 Website: www.theinsilicolab.org

Note: Applications will be open from 11:59 AM to 1:00 PM (WAT, August 24th, 2026). The application form may close earlier than the scheduled time if all available slots are filled.

Frequently Asked Questions

1. Do I need to have completed The Insilico Lab 3-Week CADD training?

While recommended, we'll consider applications from researchers with equivalent foundational knowledge. Please detail your prior experience in your statement of interest.

2. What if I'm new to Python?

Perfect! This course is designed for beginners to intermediate Python users. You'll learn everything you need within the context of real drug discovery problems. We provide heavily commented code and step-by-step guidance.

3. Will I need to install software on my computer?

No. Everything runs in Google Colab, which is free and requires only a web browser and a Google account.

4. Can I use this code for my research publication?

Absolutely. All code you write is your own. We encourage participants to adapt and publish their pipelines.

5. What if I want to continue learning after the masterclass ends?

We're developing intermediate and advanced follow-up workshops (QSAR modeling, scaffold analysis, advanced cheminformatics). You'll be notified of upcoming offerings, and alumni receive priority registration.