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).
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
Automated chemical compound profiling, Lipinski Rule of 5 drug-likeness assessment, GHS hazard classification, and interactive 3D molecular visualization using PubChem REST APIs.
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