Official repository of Zatom-1, a general-purpose model for 3D molecules and materials
A 3D Molecular Generation Framework for Data-driven Molecular Applications.
Interactive 3D and 2D molecular structure visualizer with real PubChem structure data.
3D pharmacophore-conditioned molecular diffusion with an E(3)-equivariant EGNN backbone. Generates shape-complementary, drug-like molecules conditioned on pharmacophore point clouds and PMI/SSD shape descriptors. Inspired by ShEPhERD (Adams et al., ICLR Oral 2025). PyTorch · e3nn · RDKit.
MolDraw: free online chemical structure drawing software and ChemDraw alternative by LabCanvas. 76 free chemistry tools, 3D molecule models. Info page only (no source code).
Automated chemical compound profiling, Lipinski Rule of 5 drug-likeness assessment, GHS hazard classification, and interactive 3D molecular visualization using PubChem REST APIs.
高中化学 AI 学伴 (HighChem) — 沪科版高中化学桌面学习台：五册教材精读、知识图谱、3D 分子、RAG 问答与高考双模型出题判分
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