Publications

📄 Publications

2025

Adrita Das, Peiran Jiang, Dantong Zhu, Barnabas Poczos, Jose Lugo-Martinez.
Breaking the Bottlenecks: Scalable Diffusion Models for 3D Molecular Generation. (under review).

📄 Preprint (ResearchGate)      📄 arXiv      💻 Code      🤗 Hugging Face

Peiran Jiang, Adrita Das, Weifeng Wu, Dantong Zhu, Huaiyaing Zhang, Jose Lugo-Martinez.
OpenPhase: Condition-Aware Exploration of Multicomponent Biosystem Phase-Separating Behavior.
(under review). Code and Models will be released only upon acceptance.

Preprint

Adrita Das, Peiran Jiang, Dantong Zhu, Barnabas Poczos, Jose Lugo-Martinez.
State-Space Architectures for Scalable Diffusion-based 3D Molecule Generation.
NeurIPS 2025 Workshop on Structured Probabilistic Inference & Generative Modeling

Paper ·

2023

Chakradhar Guntuboina†, Adrita Das†, Parisa Mollaei, Seongwon Kim, Amir Barati Farimani.
PeptideBERT: A Language Model Based on Transformers for Peptide Property Prediction.
The Journal of Physical Chemistry Letters

📄 Paper      💻 Code

† Equal contribution among the co–first authors.

Please do reach out to me through email if you have any questions about my research.
I’d love to talk more!

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