BioPython |
latest |
dc.utlis.genomics_utils
|
Deep Graph Library |
0.5.x |
dc.feat.graph_data,
dc.models.torch_models
|
DGL-LifeSci |
0.2.x |
dc.models.torch_models
|
HuggingFace Transformers |
Not Testing |
dc.feat.smiles_tokenizer
|
HuggingFace Tokenizers |
latest |
dc.feat.HuggingFaceVocabularyBuilder
|
LightGBM |
latest |
dc.models.gbdt_models
|
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
|
OpenAI Gym |
Not Testing |
dc.rl
|
OpenMM |
latest |
dc.utils.rdkit_utils
|
PDBFixer |
latest |
dc.utils.rdkit_utils
|
Pillow |
latest |
dc.data.data_loader,
dc.trans.transformers
|
PubChemPy |
latest |
dc.feat.molecule_featurizers
|
pyGPGO |
latest |
dc.hyper.gaussian_process
|
Pymatgen |
latest |
dc.feat.materials_featurizers
|
PyTorch |
2.2.1 |
dc.models.torch_models
|
PyTorch Geometric |
latest (with
PyTorch 2.2.1) |
dc.feat.graph_data
dc.models.torch_models
|
RDKit |
latest |
Many modules
(we recommend you to install) |
simdna |
latest |
dc.metrics.genomic_metrics,
dc.molnet.dnasim
|
TensorFlow |
2.15 |
dc.models
deepchem>=2.4.0 depends on TensorFlow v2(2.3.x)
deepchem<2.4.0 depends on TensorFlow v1(>=1.14)
|
Tensorflow Probability |
0.23.x |
dc.rl
|
Weights & Biases |
Not Testing |
dc.models.keras_model,
dc.models.callbacks
|
XGBoost |
latest |
dc.models.gbdt_models
|
Tensorflow Addons |
latest |
dc.models.optimizers
|
pySCF |
latest |
dc.models.torch_models.ferminet
|
pysam |
latest |
dc.feat.bio_seq_featurizer
dc.models.data_loader
|