I’m Parth Indulkar , a Second Year student from Vidyalankar Institute of Technology from Mumbai, India, and I’m interested in contributing to Deepchem in Upcoming Gsoc 2026.
The Introductions Thread!
Hello @bharath and everyone, my name is Anvay I am a prefinal year student pursuing a degree in ML. Ever since I came across DeepChem I have been following its work, and have been diving into the repositories. Trying to figure out and get a more clear picture of how I can contribute to the projects. Will be making contributions in the coming days.
Looking forward to be a part of DeepChem during GSOC 2026 and after.
Introduction: Utkarsh Khajuria - GSoC 2026 DFT Contributor
Hello DeepChem Community! 
I’m Utkarsh Khajuria, a third-year CS student at VIT Chennai (India).
I’m excited to be contributing to DeepChem and preparing for GSoC 2026!
Background
- Education: B.Tech Computer Science, VIT Chennai
- Skills: Python, PyTorch, TensorFlow, AWS, Machine Learning
-
Experience:
- Developed ML models achieving 85% accuracy
- 60% training time optimization in previous ML projects
- Active in open-source development
What I’m Working On
I just submitted my first contribution to DeepChem (PR #4608):
- Added comprehensive documentation for neural exchange-correlation functionals
- Created tutorial examples for NNLDA, NNPBE, and HybridXC
- 225 lines of well-documented code and examples
Link: https://github.com/deepchem/deepchem/pull/4608
GSoC 2026 Goals
I’m interested in the “Improve DFT Support” project because:
- I’m passionate about quantum chemistry + ML intersection
- I’ve successfully set up the DFT development environment
- I’ve run and validated DFT calculations (H2, H2O molecules)
- I want to implement 5-7 new neural XC functionals (meta-GGA, range-separated hybrids)
- I plan to improve GPU acceleration and create benchmarks
Current Progress
Environment setup complete (PyTorch + MPS, PySCF, DeepChem)
First DFT calculations working (0.089s for H2 energy)
Codebase thoroughly explored
First PR submitted (#4608)
Planning prototype XC functional for next contribution
Next Steps
- Engage with community feedback on PR #4608
- Build more contributions to demonstrate capability
- Collaborate with mentors on DFT improvements
- Continue learning the DQC framework
I’m excited to be part of this community and contribute meaningfully to DeepChem’s DFT capabilities. Looking forward to feedback and collaboration!
GitHub: @UtkarsHMer05
LinkedIn: www.linkedin.com/in/utkarshkhajuria05
Feel free to reach out if you have questions or want to discuss the DFT project!
First contributed to DeepChem: December 21, 2025
Hi everyone,
My name is Ayman. I am from Bangladesh. I am a Mechanical Engineering graduate with extensive experience in structural and thermal simulations (ANSYS/ABAQUS), which now made me curious about the formulas behind it. Now I’ve found myself here researching FEM formulations on DeepCharm. This fall, I will also be starting my Master’s in Advanced Mechanical Engineering and Robotics in Japan (as a MEXT scholar), with a research focus on Embodied AI.
I view differentiable physics as the key to bridging the sim-to-real gap, specifically for co-optimizing physical morphology alongside control policies. To understand the mathematical and software challenges involved in integrating FEM with automatic differentiation. My main goal is to prepare myself to work on Differentiable FEM/FVM Integration into DeepChem’s TorchModel Framework for GSOC 2026.
Hi My names is Anish Lukkireddy and I am currenty a masters student at Georgia Tech.
Hi everyone! 
I’m currently pursuing a BCA from Jamia Milia Islamiya. I’m really interested in machine learning, open-source development, and projects like those in DeepChem.
I’m here to explore the GSoC 2026 project ideas, learn from the community, and start contributing. Looking forward to connecting with you all and working together!
Thanks!