Can we predict Hessians with correct equivariance?
Can we do this with any MLIP, like Mace or Uma?
Do we even need Hessians?
Head over to The Matter Blotter to find out now!
aspuru.substack.com/p/hip-hessia...
(Spoiler: Yes)
Can we predict Hessians with correct equivariance?
Can we do this with any MLIP, like Mace or Uma?
Do we even need Hessians?
Head over to The Matter Blotter to find out now!
aspuru.substack.com/p/hip-hessia...
(Spoiler: Yes)
Molecules aren’t flat — so why should our models be?🧬
Our latest work "Stereochemistry-aware string-based molecular generation,” explores how considering stereochemistry changes the way machine learning models design molecules.
Link: doi.org/10.1093/pnas...
[1/4]
Molecules aren’t flat — so why should our models be?🧬
Our latest work "Stereochemistry-aware string-based molecular generation,” explores how considering stereochemistry changes the way machine learning models design molecules.
Link: doi.org/10.1093/pnas...
[1/4]
ELLIS Members will lead workshops across Life Science, Materials, Climate, Society & AI Policy.
👉 https://ais25.eu/
#AIS25 #RAISE
ELIAS - Lighthouse of AI for Sustainability
ELLIS Members will lead workshops across Life Science, Materials, Climate, Society & AI Policy.
👉 https://ais25.eu/
#AIS25 #RAISE
ELIAS - Lighthouse of AI for Sustainability
Is he right?
Is he right?
Link: doi.org/10.26434/che...
[1/5]
Link: doi.org/10.26434/che...
[1/5]
🗓️ Plazo de inscripción hasta el 8 de septiembre.
#comunicación #ciencia #meteo #clima
🗓️ Plazo de inscripción hasta el 8 de septiembre.
#comunicación #ciencia #meteo #clima