Key Features

Unifies heterogeneous scientific objects under one discrete grammar.
Covers proteins, antibodies, small molecules, reactions, materials, and interactions.
Uses autoregressive Transformer modeling over domain-native scientific tokens.
Avoids requiring explicit 3D geometry networks for spatial relationships.
Provides inference scripts for retrosynthesis prediction.
Supports protein pocket generation and interaction-aware ligand design.
Supports unconditional material generation workflows.
Links to technical report and Hugging Face model checkpoints.

Unlike systems that use natural language as an intermediary or require explicit 3D geometric networks, LOGOS operates on domain-native representations. Spatial relationships such as protein pocket-ligand contacts are discretized and tokenized so one autoregressive model can learn sequential scientific structure.


LOGOS is useful for scientific AI researchers building cross-domain generative models for chemistry, biology, drug discovery, and materials. The repository provides inference scripts and Hugging Face model links for tasks such as retrosynthesis, binding-site identification, ligand design, and material generation.

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