ABU SAMEER·Mar 11The 20% Gap: How AI Benchmarks in Drug Discovery Are Systematically Overstated — And How to Fix It.An empirical audit of Tox21 MoleculeNet baselines reveals a critical evaluation flaw that affects nearly every published model comparison.
ABU SAMEER·Mar 11Teaching a 7B LLM to Speak Chemistry: How I Built an RDKit-Guided Topological State Machine for…Why every language model fails at molecules — and how constrained decoding + RDKit-in-the-loop fixes it completely.
yasmine karray·Feb 11, 2024Graph-Level Classification Models in DeepChemGraph-level classification is a machine learning task that aims to predict the properties or labels of a whole graph based on its structure…
RIYA SINGH·Sep 3, 2023Google Summer of Code 2023Final Submission of MXMNet Model Implementation for DeepChemA response icon1A response icon1
Aryan Amit Barsainyan·Sep 11, 2022Google Summer of Code 2022Final Submission of D-MPNN Model Implementation for DeepChemA response icon1A response icon1
sonia singla·Feb 22, 2022DeepChemDeep learning is machine learning utilized in the modern world to achieve goals. Deep learning can solve a wide range of issues. Large…
InCodeXbyArun Thiagarajan·Aug 27, 2021Introduction to DeepChem — Driving AI in ScienceIn Tokyo 2020 Olympics, many records and personal bests tumbled in the track and field events. For the Italian company Mondo which makes…
Dr. Marco Berta·Jan 16, 2021Deepchem: modeling molecules with Python on the cloudChemometrics: the democratization
InTDS ArchivebyKacper Kubara·Aug 18, 2020Drug Discovery with Graph Neural Networks — part 1Learn How to Predict Molecular Solubility with GNNs Using Deepchem — a Deep Learning Library for Life Sciences.A response icon1A response icon1
InTDS ArchivebyAditya Bhattacharya·Aug 18, 2020DeepChem — A framework for using ML and DL for Life Science and ChemoinformaticsDemocratize the use of ML and DL in drug discovery, materials science, quantum chemistry, and biology.A response icon1A response icon1
