ExpansionRx-OpenADMET challenge#


ExpansionRx-OpenADMET challenge

load_expansionrx_benchmark

Load the ExpansionRx-OpenADMET challenge datasets.

load_expansionrx_dataset

Load ExpansionRx-OpenADMET challenge dataset by name.

load_expansionrx_splits

Load pre-generated dataset splits for the ExpansionRx-OpenADMET challenge.

Dataset loaders

load_logd

Load the LogD dataset from the ExpansionRx-OpenADMET challenge.

load_ksol

Load the KSOL dataset from the ExpansionRx-OpenADMET challenge.

load_hlm_clint

Load the HLM CLint dataset from the ExpansionRx-OpenADMET challenge.

load_rlm_clint

Load the RLM CLint dataset from the ExpansionRx-OpenADMET challenge.

load_mlm_clint

Load the MLM CLint dataset from the ExpansionRx-OpenADMET challenge.

load_caco2_perm_papp_a_b

Load the Caco-2 Permeability Papp A>B dataset from the ExpansionRx-OpenADMET challenge.

load_caco2_perm_efflux

Load the Caco-2 Permeability Efflux dataset from the ExpansionRx-OpenADMET challenge.

load_mppb

Load the MPPB dataset from the ExpansionRx-OpenADMET challenge.

load_mbpb

Load the MBPB dataset from the ExpansionRx-OpenADMET challenge.

load_mgmb

Load the MGMB dataset from the ExpansionRx-OpenADMET challenge.