jewettaij / superpose3d Star 44 Code Issues Pull requests register 3D point clouds using rotation, translation, and scale transformations. point-cloud registration cryo-em 3d rmsd cryoem point-cloud-registration structure-comparison scale-transformations Updated Aug 20, 2025 Python
Lucy-Forrest-Lab / EncoMPASS_build Star 1 Code Issues Pull requests Source code for building the EncoMPASS database symmetry membrane-proteins structure-comparison Updated Mar 4, 2026 Python
siyu-hu / relaxdiff Star 0 Code Issues Pull requests Diff two crystal structures, surface every change (displacement, bonds, coordination, cell, symmetry), and read an LLM narrative explaining whether the DFT relaxation looks reasonable. CIF / POSCAR / extxyz. dft vasp relaxation crystal-structure materials-science materials-informatics quantum-espresso ase 3dmol structure-comparison pymatgen spglib computational-materials-science llm structure-diff Updated May 20, 2026 Python
lukasmki / torchpose3d Star 0 Code Issues Pull requests A PyTorch implementation of Superpose3D for rigid-body point cloud alignment (rotation, translation, optional scale). point-cloud pytorch registration point-cloud-registration structure-comparison Updated Sep 24, 2025 Python