The demonstration codes for TMC-Llama paper

A free open-source package for free energy perturbation calculation

An MCP bundle toolkit for manipulating and interpreting SMILES strings

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

A class for conversion between zmatrices and cartesian coordinates

A python class for building a ZMatrix from a RDKit molecule. We can also do coordinate transformations between ZMatrix and Cartesian space!

Code Space of SynLlama

Sky-T1: Train your own O1 preview model within $450