Generative models have gained widespread attention in recent years due to their inverse design capabilities and their potential to accelerate the molecular design and discovery processes. This ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Boltz-2 is an open-source biomolecular model achieving near-FEP accuracy with 1000x faster predictions for structure and binding affinity. MIT and Recursion have released Boltz-2, the first ...

They build our bodies and orchestrate the molecular processes in cells that keep them healthy. They also present a wealth of targets for new medications. From everyday pain relievers to sophisticated ...

Researchers at The University of Texas at Austin recently received support from the National Science Foundation (NSF) to ...