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GeezerVison is showing github.com โ€” suneelbvs - Overview

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Dr. Suneel Kumar BVS suneelbvs

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Founder, & CEO, ATOMICAS AI Solutions
98 followers ยท 268 following
  • ATOMICAS AI SOLUTIONS
  • Hyderabad, India
  • 17:54 (UTC +05:30)
  • sbvs.me
  • @suneel_bvs
  • https://orcid.org/0000-0001-6782-6446
  • https://scholar.google.co.in/citations?user=DlY5NQ4AAAAJ&hl=en

Achievements

Achievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: YOLOAchievement: StarstruckAchievement: QuickdrawAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: YOLOAchievement: StarstruckAchievement: QuickdrawAchievement: Arctic Code Vault Contributor
More
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suneelbvs/README.md

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๐Ÿงฌ About Me

I am a Computational Chemist and AI Researcher at the intersection of molecular science and deep learning, dedicated to accelerating drug discovery through cutting-edge AI technologies.

  • ๐Ÿข Founder & CEO at ATOMICAS AI Solutions โ€” building next-generation AI platforms for molecular design
  • ๐Ÿ”ฌ Expertise in computational chemistry, cheminformatics, and AI-driven drug discovery
  • ๐Ÿค– Applying deep learning, generative models, and molecular simulations to solve complex pharmaceutical challenges
  • ๐Ÿ“ Based in Hyderabad, India
  • ๐Ÿ“ฌ Reach me at [email protected]

๐Ÿš€ What I Work On

Domain Focus Areas
๐Ÿงช Computational Chemistry Molecular dynamics, quantum mechanics, force fields
๐Ÿค– AI/ML for Drug Discovery Generative models, property prediction, virtual screening
๐Ÿง  Deep Learning Graph neural networks, transformers for molecules
๐Ÿ’Š Cheminformatics ADMET prediction, lead optimization, scaffold design

๐Ÿ› ๏ธ Tech Stack


๐Ÿ“Š GitHub Stats

GitHub Stats Top Languages

GitHub Streak


๐Ÿ† Highlights

  • ๐ŸŒŸ 100+ GitHub Stars across repositories
  • ๐Ÿ“ Published researcher in computational chemistry & AI for drug discovery
  • ๐ŸŽ“ Ph.D. in Computational Chemistry
  • ๐Ÿ’ก Building AI-powered tools to bridge the gap between academia and pharmaceutical industry

๐Ÿ“Œ Featured Projects

Explore my pinned repositories below for AI & cheminformatics tools, molecular design frameworks, and research code.


Profile Views

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  1. rdkit_tutorials rdkit_tutorials Public

    rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)

    Jupyter Notebook 44 8

  2. DiffDock DiffDock Public

    Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"

    Jupyter Notebook 26 6

  3. ChemAxon_UGM2022 ChemAxon_UGM2022 Public

    Do you want integrate Chemaxon knime nodes in Jupyter Notebook. This repo contains the knime workflows, and jupyter notebooks that used for demonstration during #ChemAxon #UGM2022

    Jupyter Notebook 4

  4. Deep-Learning-Projects Deep-Learning-Projects Public

    This is my curated collection of notes, materials, projects on DNN, CNN and RNN.

    Jupyter Notebook 7 4

  5. rdKit-for-Excel rdKit-for-Excel Public

    Excel (Office JS add-in) for cheminformatics tasks

    JavaScript 5 4

  6. mol3d-ppt mol3d-ppt Public

    Open-source PowerPoint add-in for interactive 3D protein and ligand visualization

    JavaScript 10 1

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