At MIT in 2023, I contributed to Michael E. Deagen’s Machine Translation between BigSMILES Line Notation and Chemical Structure Diagrams* publication.
I was involved in code review (challenging decisions, suggesting refactors), refactoring the source code as a package and setup a CI/CD to test/build/deploy it.
This package was involved in CRIPT‘s web-app to handle bidirectionnal edition (BigSMILES <-> Structure Diagram).
*Macromolecules, 2023-12-18 | Journal article, DOI: 10.1021/acs.macromol.3c01378
CONTRIBUTORS: Michael E. Deagen; Bérenger Dalle-Cort; Nathan J. Rebello; Tzyy-Shyang Lin; Dylan J. Walsh; Bradley D. Olsen
