Software list

• Molecular generation

  A summary statement is included.

• Ligand-Docking

  A summary statement is included.

• MD-based ligand screening

  A summary statement is included.

• Estimate binding free energy

  A summary statement is included.

• Predict molecular dynamics

  A summary statement is included.

• Predict 3D protein structures

  A summary statement is included.

• AI-driven force filed for coarse-grained MD

  A summary statement is included.

• AI-driven force field based on FMO

  A summary statement is included.

• Structure-based molecular generative model

  A summary statement is included.

• Design of antigen-antibody binding

  A summary statement is included.

• Predict organic synthetic reaction

  A summary statement is included.

• Prediction of inverse synthetic path

  A summary statement is included.

• Predict compound-protein binding

  A summary statement is included.

• Multi-task predict activity, ADME, tox

  A summary statement is included.

• Infer molecular Network

  A summary statement is included.

• Network-based clustering

  A summary statement is included.

• Biomolecular Network Prediction

  A summary statement is included.

• Target gene prediction

  A summary statement is included.

• Pharmacokinetic parameters prediction

  A summary statement is included.