Compchemlabs

Registration Open | Two-Day Hands-on Online Workshop on Nanoparticle Designing & Quantum Chemical Analysis Using ORCA

CompChemLabs is pleased to announce a Two-Day Hands-on Online Workshop on Nanoparticle Designing & Quantum Chemical Analysis Using ORCA, scheduled for 27–28 July (Tentative).

This workshop is designed for MSc students, PhD scholars, researchers, faculty members, and professionals interested in computational chemistry, density functional theory (DFT), and nanomaterial modeling using ORCA, a free alternative to Gaussian.

Participants will learn:

Nanoparticle designing using Avogadro
Installation and configuration of ORCA, Avogadro, VESTA, and Multiwfn
ORCA input file preparation and DFT calculation setup
Geometry optimization and frequency calculations
Electronic structure analysis including HOMO–LUMO, MEP, ELF, LOL, DOS, TDOS, and PDOS
IR and Raman spectrum simulation and interpretation
Calculation and interpretation of global reactivity descriptors
Generation of publication-quality figures and scientific visualization

Workshop Details
Date: 27–28 July (Tentative)
Mode: Online

Registration Fee

Indian Participants: ₹1999/-
International Participants: USD 50

Registration Link
https://forms.gle/LKn571mQXknuES5k8

Seats are limited and registrations will be confirmed on a first-come, first-served basis.

ANNOUNCEMENT | Hands-on Workshop on GROMACS Molecular Dynamics Simulation

Still getting stuck at:
❌ topology errors
❌ ligand parameter generation
❌ coordinate mismatch problems
❌ NVT/NPT setup
❌ RMSD & RMSF analysis
❌ trajectory visualization in VMD

Then this workshop is exactly for you 🔥

🧬 CompChemLabs Presents
🎓 GROMACS Molecular Dynamics Simulation
📌 From Theory to Hands-on Practice

📅 Date: 20 June
⏰ Time: 2:30 PM onwards

✨ This workshop is specially designed for beginners who want to learn Molecular Dynamics Simulation step-by-step with practical implementation.

💻 What participants will learn:
✔ Protein–Ligand complex preparation
✔ Ligand topology & parameter generation
✔ Solvation & ion addition
✔ Energy minimization
✔ NVT & NPT equilibration
✔ Production MD simulation
✔ Analysis & interpretation of results
✔ Trajectory visualization using VMD
✔ Troubleshooting common GROMACS errors

🎯 Workshop Benefits:
✅ Beginner-friendly practical training
✅ Real research workflow understanding
✅ Hands-on command ex*****on
✅ Notes & command files included
✅ Certificate of participation
✅ Guidance for research/project applications

👨‍🎓 Who can attend?
• BSc / MSc / PhD students
• Researchers & Faculty
• Biotechnology / Bioinformatics / Chemistry students
• Drug discovery & computational chemistry enthusiasts
• Anyone interested in learning GROMACS from scratch

💰 Registration Fee:
🇮🇳 Indian Participants: ₹1499/-
🌍 International Participants: $40

🔗 Registration Link:
https://forms.gle/5ZAqY1YpZL43cs8c8

Limited seats available ⚡

Contact No. +91-8429974288
page: https://www.facebook.com/profile.php?id=61559070113121
LinkedIn Page: https://www.linkedin.com/company/102020697/admin/dashboard/
WhatsApp Group: https://chat.whatsapp.com/EoO9Hymxw6mJLRXPj1BC2s

📢 ANNOUNCEMENT | CompChemLabs Courses Open

🧠 CompChemLabs is now accepting registrations for its hands-on training programs in Computational Chemistry, AI & Drug Discovery.

These courses are designed with a strong focus on practical implementation, real research workflows, and industry-relevant skills, making them ideal for students, researchers, and professionals.

📚 Courses Include:
Molecular Docking & Virtual Screening
Multiple-Ligand Simultaneous Docking (MLSD)
Protein–Protein Docking (PPD)
Nanoparticle Docking
DFT Calculations (Gaussian & ORCA)
QSAR Modelling & Toxicity Prediction
🆕 AI-Based Drug Discovery using Python
🆕 Advanced Quantum Chemical Analysis using Multiwfn
✅ What You Get:

✔ Fully hands-on training
✔ Beginner to advanced level learning
✔ Step-by-step guidance
✔ Recorded sessions (where applicable)
✔ Certificate of Participation / Completion

📌 Scan the QR code in the flyer or register here:
👉 https://lnkd.in/g3D8jVfr

📞 Contact: +91-8429974288
📧 Email: [email protected]

⏳ Limited seats available — secure your spot early!

Dear Researchers, Students, and Faculty Members,
We are pleased to announce our upcoming Hands-On Workshop on Advanced Quantum Chemistry Analysis: DOS, PDOS, NCI & QTAIM organized by CompChemLabs.

This workshop is specially designed for students, PhD scholars, researchers, and faculty members who are interested in advancing their skills in wavefunction-based quantum chemistry analysis using Multiwfn.

📅 01 May 2026

⏰ 2:30 PM IST
💻 Live Hands-On Session

Learn:
✅ DOS & PDOS analysis
✅ NCI interaction analysis
✅ QTAIM and bond critical point study
✅ Publication-ready interpretation

🎁 Recorded session included
💰 ₹1300 (India) | $40 (International)

Limited seats available. Register now using the QR code / form link (https://forms.gle/fRdLfc48ZSeAHwDA7).

✨ Successfully Conducted AI Workshop ✨

I am delighted to share that our Artificial Intelligence workshop was successfully conducted with great enthusiasm and engagement.

We received registrations from 25+ participants, and 9 participants actively joined the live session, making it a highly interactive and practical learning experience. The session focused on building conceptual clarity, understanding real-world applications, and exploring the growing role of AI in research and innovation.

A heartfelt thank you to all the participants for their active involvement, thoughtful questions, and encouraging feedback. Your support truly motivates me to continue creating meaningful learning opportunities.

🚀 If you are interested in upgrading your skills and gaining hands-on experience, do join CompChemLabs for more upcoming workshops and training programs.

Looking forward to connecting with many more learners and researchers in the future.

CompChemLabs Presents

AI-Enabled Drug Discovery – Practical Python Workshop
We are excited to announce our One-Day Hands-On Training designed to help you apply AI tools with Python in real drug discovery workflows — without confusing theory or black-box machine learning.

This workshop focuses on practical, usable AI workflows that researchers and students can directly implement.

📅 Date: 16 March 2026
⏰ Time: 7:00 PM IST
💻 Mode: Live Hands-On Session
🛠 Tools: Jupyter + Python + RDKit

What You Will Learn

AI-powered Python workflows for managing large chemical datasets
AI-assisted data cleaning & duplicate removal
AI-based drug-likeness evaluation
AI-enabled ADME & toxicity screening
Similarity-driven compound prioritization
Scaffold intelligence for medicinal chemistry insights

Registration Fee
Indian Participants: ₹1300
International Participants: $40 USD

Register Now
Google Form Registration Link:
(https://forms.gle/bWniZ32CrJtSarvK9)

Who Should Attend?
✔ MSc / PhD Chemistry Students
✔ Computational Chemistry Beginners
✔ Drug Discovery Researchers
✔ Anyone interested in Python + AI in Chemistry

📞 Contact / WhatsApp: +91-8429974288

Seats are limited to maintain interactive learning.
Secure your seat early 🚀

📢 ANNOUNCEMENT | CompChemLabs Courses Open

CompChemLabs is now accepting registrations for its hands-on training programs in Computational Chemistry, AI & Drug Discovery.

These courses are designed with a strong focus on practical implementation, real research workflows, and industry-relevant skills, making them suitable for students, researchers, and professionals.

✔ Fully hands-on training
✔ Beginner to advanced level learning
✔ Step-by-step guidance
✔ Recorded sessions (where applicable)
✔ Certificate of Participation / Completion

📌 Scan the QR code in the flyer or register here:
👉 https://forms.gle/RhGJF3vPMG8nEKaQ8

📞 Contact: +91-8429974288
📧 Email: [email protected]

🌟 HANDS-ON WORKSHOP ANNOUNCEMENT 🌟
Pharmacophore Modeling & Pharmacophore-Based Virtual Screening
Practical Drug Discovery Training | Beginner Friendly

Join our hands-on online workshop designed to introduce participants to pharmacophore modeling and pharmacophore-based virtual screening for early-stage drug discovery using free, web-based tools.

🔬 What you will learn:
• Identification of key pharmacophoric features
• Pharmacophore model generation and refinement
• Pharmacophore-based virtual screening
• Hit identification and integration with docking workflows

📅 Workshop Details:
🗓 Date: 24 January 2026
⏰ Time: 03:00 PM (IST)

💻 Mode: Online (Live + Recorded)
⏳ Duration: 3–4 Hours
💰 Registration Charges:
₹1349 – Indian Participants
$40 – International Participants

🔗 Registration Link:
👉 Fill the Google Form to register (https://forms.gle/GjNCFGQWg9VfwcZeA)

🎓 Who should attend?
Students, research scholars, faculty members, and learners interested in computational chemistry, bioinformatics, and drug discovery.
No prior experience required.

🎁 Participants will receive:
• Workshop learning material
• Certificate of participation
• Lifetime access to session recordings
• Post-workshop doubt-clearing support

📢 Organized by: CompChemLabs

“Wishing our CompChemLabs family a New Year filled with knowledge, growth, and success.”