Aligning gene expression trajectories of single-cell reference and query systems
Code for "Aligning Optimization Trajectories with Diffusion Models for Constrained Design Generation" @ NeurIPS 2023
It is one of the part of my master's thesis, involving computing the Absolute Pose Error (APE) and Relative Pose Error (RPE) of trajectories collected from two environments: PySLAM and ORB-SLAM3
MolAlign is the command-line powerhouse of the suite. It is designed to stitch multiple reaction segments (e.g., separate IRC calculations) into one seamless, physically consistent trajectory.
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