So essentially, We have a Universal Quantum Chemistry dataset to find new drugs now! Paper: β2DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials (18 Pages) Github: https://github.com/AIRI-Institute/nablaDFT
Ready for Universal Quantum Chemistry? π¬π§ͺπ©βπ¬
Ready for Universal Quantum Chemistryβ¦
Ready for Universal Quantum Chemistry? π¬π§ͺπ©βπ¬
So essentially, We have a Universal Quantum Chemistry dataset to find new drugs now! Paper: β2DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials (18 Pages) Github: https://github.com/AIRI-Institute/nablaDFT