v1.4

BIND v1.4

• Fixed critical bug in smiles_parser.py, where explicit_hydrogens was set to False instead of True, leading to significant degradation of screening power since the released model was not trained to deal with implicit hydrogens.

v1.3

BIND v1.3

• Added the --batch_size option (defaults to 1), useful for greatly speeding up screening especially when there are CUDA devices specified in --bind_device
• Added the --precision option (defaults to 5) which controls the number of decimal places to output
• Edited the print message when running BIND

v1.2

BIND v1.2

• Command line interface
• API