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A Collection of 10.000 collected Windows Chrome Fingerprints. Usable with an easy-to-use API, available as a compressed (lzma) or full-size Json (view Releases). Its just 1.4mb in size in compressed form, and fast in read times.
EOSNet: Graph neural network with Gaussian Overlap Matrix (GOM) fingerprints for predicting material properties. Supports CGCNN and e3nn equivariant backbones, s and s+p orbitals, and differentiable GOM for MLIP energy/force prediction.
👨🔬 A command-line application that utilizes the RDKit library to compute molecular descriptors and fingerprints, aiding in the analysis and characterization of chemical structures