new API philosophy; streamlined interfaces for workflows; using NNPs and g-xTB to predict bond strength; an MCP server; .sdf files; benchmarking protein–ligand interactions; Diels–Alder visualizations
API v2, New BDE Methods, MCP, And More
new API philosophy; streamlined interfaces for workflows; using NNPs and g-xTB to predict bond strength; an MCP server; .sdf files; benchmarking protein–ligand interactions; Diels–Alder visualizations