API reference

High-level functions

generate(user_input[, conformations, ...])

Generate STARLING ensembles and distance maps for one or more sequences.

sequence_encoder(sequence_dict[, ...])

Embed sequences with the STARLING encoder.

load_ensemble(filename[, ignore_structures])

Function to read in a STARLING ensemble from a file and return the STARLING ensemble object.

set_compilation_options([enabled])

Configure model compilation settings programmatically with full support for PyTorch compile parameters.

Structure & Ensembles

structure.ensemble

Ensemble representation and analysis helpers.

structure.bme

Bayesian Maximum Entropy (BME) reweighting for ensemble refinement.

structure.bme_utils

structure.coordinates

Frontend

frontend.ensemble_generation

frontend.starling_viz

Inference

inference

Inference module for STARLING.

inference.generation

inference.constraints

inference.model_loading

inference.evaluate_vae

inference.benchmark_mds

Models

models.vae

models.diffusion

models.unet

models.vit

models.transformer

models.attention

models.blocks

models.normalization

models.ema

models.continuous_diffusion

models.vae_components

models.quantize

models.resnets_original

Samplers

samplers.ddpm_sampler

samplers.ddim_sampler

samplers.plms_sampler

SAMPLING ONLY.

Data Processing

data.tokenizer

data.distributions

data.positional_encodings

data.schedulers

data.data_wrangler

data.argument_parser

Search & Indexing

search

Starling search module: FAISS-backed similarity search with filtering and reranking.

search.search_engine

FAISS Search Engine

search.store

SQLite Sequence Store

search.builder

FAISS Index Builder

search.similarity_search

search.search_utils

Search Utilities

Configuration & Utilities

configs

utilities

Training

training