Machine Learning and High-Performance Computing in Computational Drug Design: Methods and Applications

24thAug - 28th Aug 2021


In this 5 days workshop, leading modelling and simulation experts will introduce state-of-the-art and emerging methods like machine learning, high throughput calculation, free energy methods, and cloud computing. All the aspects of drug design including hands-on using the fastest computational methods (codes) and cloud computing, will be introduced. The computational software license and access to the cloud will be provided to all the participants to practice and perform case studies after the workshop as well.
The participants can design their case studies or will be provided by the lecturers. The main agenda of the workshop is to help the participants to apply all the learnings to their research problems.

Workshop organizers:
The workshop is jointly organized by Department of Chemical Engineering, IIT Kanpur (Prof. Jayant K. Singh) and Prescience Insilico Private Limited.

At the end of the workshop, certificates issued by IIT Kanpur will be provided to all the participants.

Interested participants can apply for internship upon successful completion. Dependent on the availability and merit, few internships may be provided for 2 months period.

Mode of Conduct: Online.

Note: To join a workshop you need a personal computer.

Link will be shared only with the registered candidates.

Workshop Content & Schedule


Prof. Jayant K. Singh

Professor, IIT Kanpur Organizer

Dr. Sudip Roy

Prescience Insilico Pvt Ltd

Dr. Sadanandam Namsani

Prescience Insilico Pvt Ltd

Dr. Chandan K. Choudhury

Prescience Insilico Pvt Ltd

Dr. Aishwarya Pawar

Prescience Insilico Pvt Ltd


Mr. Krishna Gopal Chattaraj

Prescience Insilico Pvt Ltd

Mr. Jasjit Singh Rayat

Prescience Insilico Pvt Ltd

Registration Procedure

Step-1: Fill up the Registration form Click here (Registration Closed)
After successfully submitting the application, we will review it and send you a confirmation email with the payment details.

Registration Fees

Category Early Bird Registration discount upto 40% After 15th Aug, 2021
31st July, 2021 (40%) 10th Aug, 2021 (30%) 15th Aug, 2021 (20%)
Students* Rs 10.5K Rs 12.5K Rs 14K Rs 15K + 2700 (GST) = 17.7K
Faculty / Scientist / Postdoctoral Fellow Rs 17.5K Rs 20.5K Rs 23.5K Rs 25K + 4500 (GST) = 29.5K
Industry Rs 28.5K Rs 33K Rs 37.5K Rs 40K + 7200 (GST) = 47.2K
Outside India (Including GST)
Students* $153 $178 $204 $255
Faculty / Scientist / Postdoctoral Fellow $255 $298 $340 $425
Industry $408 $476 $544 $680

Registration* fee covers the following

  • IITK students need not to pay the GST
  • Course lectures live (5 day)
  • Software PRinS3 (TM) license will be provided for 1 month
  • Access to the cloud computing resources

Step 2: Make Payment according to your category

How to Pay in INR How to Pay from Outside India
Step-1 Go to
Step-2 Select the institution state name as "Uttar Pradesh"
             Enter the type of institution "Educational institution"
Step-3 Select the educational institute name as "Indian Institute of Technology, Kanpur"
Step-4 Select payment category as "CDTE workshops"
Step-5 Enter the details in the required fields.
Please email us at
More Details

Details to be filled during payment:

Course Code IITK/CCE/21-22/012
Course Title Drug Design
Course Duration 24/08/2021 to 28/08/2021

Step-3: Fill up the Payment Details Form. Click here


  • The fees once paid will not be refunded under any circumstances.
  • You have to pay the fees latest by 21st August 2021 till 5.00 PM. Your registration will be cancelled in case of failure of payment before due date.
  • If you have any queries, please email us at

Contact Details

Course Coordinator

Prof. Jayant Kumar Singh

Department of Chemical Engineering,
IIT Kanpur


Room No. 202B, Northern Lab-II, Academic Area
IIT Kanpur