Interface-aware molecular generative framework for protein-protein interaction modulators
Official implementation of "FragFM: Hierarchical Framework for Efficient Molecule Generation via Fragment-Level Discrete Flow Matching" (ICLR 2026)
Transformer-based molecular generative model for antiviral drug design
A generative AI framework for 3D molecular generation and data-driven molecular design in computational chemistry.
📁study logs about Drug Discovery with AI
Official implementation of "Navigating the Fragrance space Via Graph Generative Models And Predicting Odors". This repo is for generative models for designing odor molecules
ChemMiniQ3-SAbRLo is a lightweight experimental generative model for chemistry, built on mini Qwen2-like arch, designed for rapid prototyping of HuggingFace AutoModel and AutoTokenizer compatibility, and fast iteration of Multi-Token Prediction (MTP) and RL fine-tuning algorithms/rewards.
A lightweight experimental generative model for chemistry, with mini Qwen2-like architecture and horizon loss and biologically-aware RL fine-tuning on SELFIES molecular representations.
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