molecular-ai

Graph Neural Networks for Molecular Property Prediction using the QM9 Quantum Chemistry Dataset.

AI-powered cheminformatics platform integrating Random Forest and Graph Neural Networks for molecular visualization and toxicity prediction.

First open-source descriptor-augmented LLM for Neglected Tropical Disease drug discovery | OLMo-7B + QLoRA + DeepChem | Bioactivity & Toxicity prediction for Leishmaniasis, Chagas, Malaria, TB

Genesis Therapeutics — independent third-party profile of a public API surface, by API Evangelist. Genesis Therapeutics (Genesis Molecular AI) is an AI-focused biotechnology company building GEMS (Genesis Exploration of Molecular Space), a generative and predictive AI operating system for small-molecule drug discovery.