Upload Data

Upload your data

Below you have the form for submitting new molecules to the database. Further information as the requirements or the curation protocol is provided in the help section.


Upload Files

Required files

Files required to submit a new entry in the BCE databases:

  • Trajectory
  • Topology
  • Force-field parameters
  • Simulation Log file

Optional files

Files required to complement the trajectory information with a set of associated analyses:

  • Ensemble of conformations
  • Conformations final population
  • Conformations convergence
  • QM-refined conformation structures
  • QM-refined conformations final energy

Files uploading