This directory contains instructions for reproducing the results in our two antibiotic generation papers.
The instructions for reproducing the results from our forthcoming paper, which uses the reinforcement learning (RL) version of SyntheMol, are in rl.
The instructions for reproducing the results from the paper Generative AI for designing and validating easily synthesizable and structurally novel antibiotics, which uses the Monte Carlo tree search (MCTS) version of SyntheMol, are in mcts.