Rakshit Kumar Singh

Experience

Research Fellow and Software Developer

Deep Forest Sciences (Sep 2023 – Present)
  • Did research on modeling Low K dielectric materials using GPAW package.
  • Led the migration of 200+ utility functions for Molecular Machine Learning from Python 3.7 to 3.11
  • Ensured 100% unit test coverage for all new utility functions, significantly boosting code reliability

Student Developer

Google Summer of Code - DeepChem (Open Chemistry) (May 2023 – Aug 2023)
  • Implemented DTNN and SeqToSeq model and corresponding layers in PyTorch
  • Fixed many issues in the CI/CD pipeline to make the code base more stable

Chief Technical Officer

Stethaim Pvt. Ltd. (Feb 2025 – Present)
  • Worked on building systems for separating lungs and heart sounds.
  • Led the software team closely to work on creating all the open source libraries for accomplishing the targets.

Achievements

PanIIT Alumni Imagine Hackathon 2nd Rank

Jan 2025

Built an anonymous communication system

ETH India 6th Rank

Jan 2025

Got 6th rank in public choice quadratic voting

Crypto QA 2nd Rank

Sep 2024

Built an AI Model for question answering regarding crypto using Twitter data

HackCBS 4th Rank

Sep 2024

Developed a business solution for internal communication using matrix protocol

Ethos 2.0 - IIT Guwahati Winner

Sep 2024

Built an End-to-End Encrypted chat and video call platform following the matrix protocol

Leash-Belka - Kaggle Ranked 299/2364

June 2024

Prediction of chemical bonding using ML and computational Chemistry

Projects

Open source Differentiable ODE Solving Infrastructure (AAAI'25)

June 2024 - Nov 2024
  • Integrated GPU-accelerated ODE solvers into DeepChem, making these tools easily accessible
  • Demonstrated capabilities through experiments on Lotka-Volterra predator-prey dynamics, pharmacokinetic compartment models, neural ODEs, and solving PDEs

Personal Blog Site

Feb 2024
  • Developed a blog website, integrated with Markdown and LaTeX maths rendering for 10+ articles
  • Implemented automated server-side rendering of each blog page to achieve sub-100ms loading times

Community Work

President - Machine Learning For Everyone

NIT Rourkela (August 2023 – Present)

Made a vibrant group of ML/AI developers, helped them in participating in competitions and promoted ML research

Founder - Linux Labs

NIT Rourkela (September 2024 – Present)

Built a close-knit community of people who loved technology and were able to take initiatives.

Contributor - DeepChem

DeepChem (May 2023 – Present)

Worked with amazing people in DeepChem to build systems that could be used to accelerate chemistry and biology research.

Education

Bachelor of Technology in Mining Engineering

National Institute of Technology, Rourkela (Nov 2022 – June 2026)

Bachelor of Science in Data Science

Indian Institute of Technology, Madras (Jan 2024 – present)

Technical Skills

Languages

  • Python
  • C++
  • C
  • SQL

Frameworks

  • PyTorch
  • TensorFlow
  • Pandas
  • Numpy
  • SciPy

Tools

  • Git
  • Transformers
  • AWS
  • DuckDB
  • Linux
  • GitHub
  • PyTest
  • CI/CD