TAME-VS_v1.0

Target-driven machine-learning-enabled virtual screening is a machine learning tool developed to accelerate the early-stage hit identification. In this repository, you can find all you need to launch virtual screening against your target protein with different types of input information:

1. Mimimum info: a single uniport ID of your target protein (starting point 1);
2. Intermediate info: Compound datasets containing active and inactive molecules against homologies of your target of interest (starting point 2);
3. Advanced info: Compound datasets containing active molecules directly against your target of interest (starting point 3).