Educational repo: building a tiny MolFormer-style encoder transformer from scratch for chemists. Sister course to GNNs-For-Chemists.

Fine-tuned chemical language model for predicting molecular lipophilicity in drug design. Explores parameter-efficient fine-tuning strategies (LoRA, BitFit, IA3), layer freezing techniques, and influence-based data selection. Balances accuracy and computational efficiency for molecular property prediction tasks.

Predicting Critical Micelle Concentration (CMC) of Surfactants Using Machine Learning