1. Department of Chemistry and Chemical BiologyHarvard University 12 Oxford Street Cambridge MA 02138 USA
2. Zapata Computing, Inc. 100 Federal Street Boston MA 02110 USA
3. Department of Chemistry and Department of Computer ScienceUniversity of Toronto 80 St. George Street Toronto ON M5S 3H6 Canada
4. Canadian Institute for Advanced Research 661 University Avenue Toronto ON M5G 1M1 Canada
5. Vector Institute 661 University Avenue Toronto ON M5G 1M1 Canada