𝐶 is concatenation of one-hot encoding of atom type and formal charge for atoms, 𝐸 0 contains the bond types，while the set 𝑅 refers to the atom coordinates. MIDI corrupts the features of each node and edge independently with an adaptive noise schedule. The node and edge features 𝑉 0 , 𝐸 0 are diffused discretely, where noise model is a sequence of categorical distribution 𝒞 and the coordinates 𝑅 is diffused with gaussian noise 𝜖 within the zero centerof-mass (CoM) range, where 𝜖~𝒩 1-2 (𝛼 / 𝑅 /3+ , (𝜎 / ) , 𝐼), the parameter (𝛼 / ) /45 controls how much signal is retained at each step and (𝜎 / ) /45 indicates how much noise is added. Then, the final noise model is given by: