Requirements

Hard requirements

DeepChem currently supports Python 3.5 through 3.7 and requires these packages on any condition.

Soft requirements

DeepChem has a number of “soft” requirements.

Package name Version Location where this package is imported (dc: deepchem)
BioPython latest dc.utlis.genomics_utils
Deep Graph Library latset dc.feat.graph_data
OpenAI Gym Not Testing dc.rl
matminer latest dc.feat.materials_featurizers
MDTraj latest dc.utils.pdbqt_utils
Mol2vec latest dc.utils.molecule_featurizers
Mordred latest dc.utils.molecule_featurizers
NetworkX latest dc.utils.rdkit_utils
OpenMM latest dc.utils.rdkit_utils
PDBFixer latest dc.utils.rdkit_utils
Pillow latest dc.data.data_loader, dc.trans.transformers
pyGPGO latest dc.hyper.gaussian_process
Pymatgen latest dc.feat.materials_featurizers
PyTorch 1.6.0 dc.data.datasets
PyTorch Geometric latest (with PyTorch 1.6.0) dc.feat.graph_data
RDKit latest Many modules (we recommend you to instal)
simdna latest dc.metrics.genomic_metrics, dc.molnet.dnasim
Tensorflow Probability 0.10.1 dc.rl
XGBoost latest dc.models.xgboost_models
Weights & Biases Not Testing dc.models.keras_model, dc.models.callbacks
HuggingFace Transformers Not Testing dc.feat.smiles_tokenizer