ConfRover-interp-20M-v1.0

from confrover import ConfRover

model = ConfRover.from_pretrained(<model_name>)

model.to("cuda")

model.generate(
    case_id=<case_name>,
    seqres=<amino_acid_sequence>,
    output_dir=</path/to/save/output>,
    task_mode=<"forward"|"iid"|"interp">,
    n_replicates=<int>, # number of replicated trajectories (forward and interp) or total number of conformation samples (iid)
    n_frames=<int>, # number of frames in the trajectory, including the conditioning frames.
    stride_in_10ps=256, # time interval between frames in the unit of 10 ps.
    conditions=..., # information for conditioning frames for forward simulation and interp. See `ConfRover.generate` for more details.
)