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1. upper-bound-energy-gnn upper-bound-energy-gnn Public

   GNN for predicting an upper bound of the relaxed energy for a given unrelaxed structure

   Jupyter Notebook 8

2. NREL/rlmolecule NREL/rlmolecule Public

   A reinforcement learning library for material and molecule optimization

   Python 30 9

3. Murali-group/multi-species-GOA-prediction Murali-group/multi-species-GOA-prediction Public

   Software for predicting GO annotations using a multi-species network.

   Python

4. Murali-group/SARS-CoV-2-network-analysis Murali-group/SARS-CoV-2-network-analysis Public

   Software framework for analysis of SARS-CoV-2 molecular networks

   Jupyter Notebook 6 3

5. Murali-group/tox_signaling_networks Murali-group/tox_signaling_networks Public

   Code for building and evaluating toxicant signaling networks.

   Python

6. Murali-group/Beeline Murali-group/Beeline Public

   BEELINE: evaluation of algorithms for gene regulatory network inference

   Python 176 53