Using rdkit, we encoded the ligand as a length 36 atom type vectors with 7 channels (no atom, C, N, O, F, S, and other) and a 36 × 36 bond adjacency matrix with 5 channels ... small molecule pairs.

Design a binary tree node class with the following methods ... Given an undirected graph represented as an adjacency matrix and an integer k, write a function to determine whether each vertex in the ...

Sparse Matrix Representation: Utilizes sparse matrices to represent adjacency matrices, optimizing storage and performance. Linear Algebra Querying: Employs linear algebra for query execution, ...

Coltrane, a jazz virtuoso who devoted much of her life to a spiritual journey, is a beacon for today’s artists. An exhibition at the Hammer Museum shows why. By Siddhartha Mitter The first ...

From a tiny French fisherman’s cabin to a hexagonal home in Hawaii. These buildings and places capture the city’s playful approach to concrete-and-asphalt Modernism. By Michael Snyder ...

SO-IL (Solid Objectives – Idenburg Liu) is an architectural design firm based in Brooklyn, New York, founded in 2008 by Florian Idenburg and Jing Liu. Known for an architecture deeply engaged ...

In this paper, we propose a stereo molecular graph BERT (SMG-BERT) by integrating the 3D space geometric parameters, 2D adjacency information, and 1D SMILES representation into a self-attention-based ...

College of Chemistry and Materials Science, Hebei University, Baoding 071002, P. R. China ...