FreeSolv: a database of experimental and calculated hydration free energies, with input files
PulseAugur coverage of FreeSolv: a database of experimental and calculated hydration free energies, with input files — every cluster mentioning FreeSolv: a database of experimental and calculated hydration free energies, with input files across labs, papers, and developer communities, ranked by signal.
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New SenCos-GEM framework enhances molecular property prediction accuracy
Researchers have developed SenCos-GEM, a new framework for molecular representation learning designed to improve the accuracy of predicting molecular properties. This approach integrates physics-guided geometric consist…
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New benchmark MolGraphBench evaluates GNNs for molecular regression tasks
A new benchmark called MolGraphBench has been introduced to evaluate Graph Neural Network (GNN) architectures for molecular regression tasks. The benchmark, proposed by Ishaan Gupta, analyzes four common GNN models, fin…