deepchem
DeepChem provides an open-source toolchain for applying deep learning in areas such as drug discovery, materials science, quantum chemistry, and biology. It offers integration with Python environments and support for TensorFlow, PyTorch, and JAX, enhancing research efficiency. Rich tutorials, easy installation via pip or conda, and active community involvement make DeepChem a valuable resource for molecular machine learning and computational biology. Setting up with Docker and connecting with the community through Discord, DeepChem supports innovation and scientific progress.