Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics.
Payel DasTom SercuKahini WadhawanInkit PadhiSebastian GehrmannFlaviu S. CipciganVijil ChenthamarakshanHendrik StrobeltCícero Nogueira dos SantosPin-Yu ChenYi Yan YangJeremy TanJames HedrickJason CrainAleksandra MojsilovicPublished in: CoRR (2020)
Keyphrases
- generative model
- molecular dynamics
- probabilistic model
- molecular dynamics simulations
- scientific data
- discriminative learning
- high performance computing
- deep belief networks
- hierarchical hidden markov models
- protein folding
- semi supervised
- discriminative models
- em algorithm
- prior knowledge
- conditional random fields
- data generation
- data mining
- expectation maximization
- data sets
- object categories
- fluid flow