v1.3.0

• add server-based docking (--program server) supporting containerized deep-learning programs via a persistent JSON Lines protocol
• add CarsiDock server integration (SMILES input, SDF output, RTMScore scoring)
• add Vina-GPU server integration (bundles Vina-GPU, QVina2-GPU, QVinaW-GPU in a single container)
• auto-build container launch commands from a bare .sif path or Docker image name; parent directories of config-referenced files are bound automatically
• auto-inject --nv / --gpus all into both bare and full-form container commands when a GPU is detected via nvidia-smi
• add Docker image support for containerized protonation tools (same interface as SIF containers)
• add easydock_bust tool for PoseBusters pose validation; pass/fail results stored in a bust table in the database
• add --bust flag to get_sdf_from_easydock to filter output by PoseBusters results
• add --debug flag to get_sdf_from_easydock to print the generated SQL query
• implement automatic detection and interactive upgrade of databases created by older EasyDock versions
• implement support of singularity/apptainer containers incorporating protonation tools on Linux and MacOS
• integrate uni-pka protonation as a pre-built container
• integrate protein-ligand fingerprint detection for docking poses of ligands based on ProLIF
• add env.yml to make setup and installation easier
• the console script get_sdf_from_dock_db was renamed to get_sdf_from_easydock
• documentation was created