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• 17:20, 7 July 2026 Kholland talk contribs created page Running ChemSTEP with SymDOCK (Created page with "last update: july7 2026 katie. ChemSTEP (Chemical Space Traversal and Exploration Procedure) is an open-source, transparent acceleration algorithm for molecular docking capable of dealing with virtual libraries of several trillion compounds. This wiki page is a guide for BKS lab members to run ChemSTEP on Wynton HPC, using a subset of ZINC (22B or 72B) or 13.3B library from Enamine REAL. At a high-level, ChemSTEP is an iterative process that identifies molecules from...")
• 22:46, 24 July 2025 Kholland talk contribs created page Running ChemSTEP (Created page with "feljfhqejf")