Official repository for BInD (Bond and Interaction generating Diffusion model)
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Jul 24, 2025 - Python
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molecular-generative-models
Here are 7 public repositories matching this topic...
Interface-aware molecular generative framework for protein-protein interaction modulators
drug-design qed protein-protein-interaction gnns cwgan-gp qeppi protein-protein-interface molecular-generative-models genippi
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Dec 22, 2024 - Jupyter Notebook
Transformer-based molecular generative model for antiviral drug design
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Nov 20, 2024 - Python
A generative AI framework for 3D molecular generation and data-driven molecular design in computational chemistry.
machine-learning ai chemistry cheminformatics drug-discovery drug-design molecules diffusion molecular-design diffusion-model denovo-design molecular-generation molecular-generative-models generative-ai 3d-molecular-generation
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Mar 7, 2026 - Python
📁study logs about Drug Discovery with AI
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Jul 9, 2024 - Jupyter Notebook
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.
experimental cheminformatics transformer molecular-generation molecular-generative-models custom-gpt qwen2 multi-token-prediction selfies-strings
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Oct 1, 2025 - Python
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.
experimental cheminformatics transformer molecular-generation molecular-generative-models custom-gpt qwen2 multi-token-prediction selfies-strings
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Oct 1, 2025 - Python
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