Project Update 20201131

• chemprop

  1 1,558 9.9 Python

  Message Passing Neural Networks for Molecule Property Prediction

  

There have been many attempts at this, the most sucessful of which is MIT's ChemProp, which we are actively working on tuning for our goals!

• ml-psychs

  2 4 0.0 Jupyter Notebook

The repository for our project where we are re-training ChemProp for 5HT2A agonists is here: https://github.com/comp-pharm/ml-psychs/

• InfluxDB

  www.influxdata.com featured

  Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.

  

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