Skip to content

Navigation Menu

Sign in
Appearance settings

Search code, repositories, users, issues, pull requests...

Provide feedback

We read every piece of feedback, and take your input very seriously.

Saved searches

Use saved searches to filter your results more quickly

Sign up
Appearance settings
@heyitsdipu
heyitsdipu
Follow

Diptesh Gayen heyitsdipu

🎯
Focusing
Computational Material Scientist (ML/AI) | PhD in Physics

Block or report heyitsdipu

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.

Maximum 250 characters. Please don't include any personal information such as legal names or email addresses. Markdown supported. This note will be visible to only you.
Report abuse

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

Report abuse
heyitsdipu /README.md

Hi, I'm Diptesh Gayen

Computational Materials Scientist (PhD, Physics)

class heyitsdipu:
 def __init__(self):
 self.pronoun = "He/Him"
 self.interests = ['Phyiscs', 'Material Science', 'ML', 'DL', 'Polymer', 'GNN', 'MLIP', 'Next-gen materials']
 self.quotes = "Play fearlessly! Play bold!"
 self.description = '''
 I like to write code that hopefully works πŸ˜‹
 '''

heyitsdipu

  • πŸ”­ I’m currently working on machine-learning interatomic potentials (MLIPs) for polymer and soft-matter systems

  • 🌱 I’m currently deepening my understanding of graph neural networks, equivariant models, and generative models for materials

  • πŸ‘― I’m looking to collaborate on MLIP development, atomistic ML, and data-driven materials modeling


A typical scheme for generating machine learning interatomic potential. The figure is created with Affinity Designer 2. Icons were obtained from the open-source Freepik website.

  • πŸ‘¨β€πŸ’» All of my research code and projects are available at GitHub

  • πŸ“ I write about my research, projects, and background at Website

  • πŸ’¬ Ask me about atomistic simulations, LAMMPS, force-field development, ML for materials, and computational chemistry

  • πŸ“« How to reach me: Email

  • πŸ“„ Know about my academic and research experience: Curriculum Vitae

  • I like doing karate, playing badminton, and hiking. I like to read or listen different philosophical concepts. I am a deeply spiritual person. Spirituality means to know the relationship between "I" and the "Universe". Yes, that's it. Don't spread stupidity in the name of spirituality. I follow a philosophy called "Advait" (or Non-duality). If you are interested to know further, please read or listen some of the works of Acharya Prashant.


🌐 Socials:


πŸ’» Tech Stack:

  • Languages πŸ’»

  • Databases πŸ“Š

  • Python Libraries and Tools (ML & Deep Learning) 🐍

  • Computational Chemistry & Atomistic Simulation

  • Machine-Learning Interatomic Potentials

heyitsdipu

Pinned Loading

  1. from-smiles-to-ml from-smiles-to-ml Public

    In this series of notebooks, I have explored the concepts of smiles, descriptors, fingerprints, and SMILE Tokenizer

    Jupyter Notebook

  2. polymer-informatics polymer-informatics Public

    Jupyter Notebook

  3. machine-learning-force-field-dialanine machine-learning-force-field-dialanine Public

    Development of machine learning force field for Dialanine

    Jupyter Notebook 1

AltStyle γ«γ‚ˆγ£γ¦ε€‰ζ›γ•γ‚ŒγŸγƒšγƒΌγ‚Έ (->γ‚ͺγƒͺγ‚ΈγƒŠγƒ«) /