MINER

Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery

The repository contains the code for the MINER presented in the paper Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery.

Set up the environment

conda create -n MINER python=3.10.13
conda activate MINER
bash env.sh

Molecular Property Predictions

ChEMBL2K

python main.py --dataset chembl2k

Broad6K

python main.py --dataset broad6k