We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic molecules with up to 14 heavy atoms, sampled from the GDB MedChem database. The Alchemy dataset expands the volume and diversity of existing molecular datasets. Our extensive benchmarks of the state-of-the-art graph neural network models on Alchemy clearly manifest the usefulness of new data in validating and developing machine learning models for chemistry and material science. We further launch a contest to attract attentions from researchers in the related fields. More details can be found on the contest website 1 . At the time of benchamrking experiment, we have generated 119,487 molecules in our Alchemy dataset. More molecular samples are generated since then. Hence, we provide a list of molecules used in the reported benchmarks.Preprint. Under review. Authors are listed in alphabetical order.
In [Laf08, Laf09], Vincent Lafforgue proved strong Banach property (T) for SL 3 over a non archimedean local field F. In this paper, we extend his results to Sp 4 and therefore to any connected almost F -simple algebraic group with F -split rank ≥ 2. As applications, the family of expanders constructed by finite quotients of a lattice in such a group does not admit a uniform embedding in any Banach space of type > 1, and any affine isometric action of such a group, or of any cocompact lattice in it, in a Banach space of type > 1 has a fixed point.
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