Popular repositories Loading

1. DeepDelta DeepDelta Public

   DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict property differences between two molecules.

   Python 45 7

2. ActiveDelta ActiveDelta Public

   ActiveDelta applies our pairwise deep learning approach to predict property differences to molecular active learning tasks.

   Python 8

3. Transportome Transportome Public

   Forked from DanReker/Transportome

   Python 3 1

4. NanoAnalysis NanoAnalysis Public

   NanoAnalysis is a large scale, ML-driven analysis of inorganic nanoparticles in pre-clinical cancer research

   HTML 3 2

5. DeltaClassifier DeltaClassifier Public

   DeltaClassifier is a machine learning method to directly train upon and learn molecular changes to classify molecular improvements in potency using inexact regression data.

   Python 3

6. ComputationalDrugRD ComputationalDrugRD Public

   Python 3