choderalab / pinot

Probabilistic Inference for NOvel Therapeutics
MIT License
15 stars 2 forks source link

Biophysical BayesOpt + Thompson Sampling #112

Closed miretchin closed 3 years ago

miretchin commented 3 years ago

Main difference from usual is it requires running condition multiple times and then marginalizing; also, every acquisition function must be evaluated using MC.

lgtm-com[bot] commented 3 years ago

This pull request introduces 2 alerts when merging a10b0ec6eb48161bc07e1f1df6721e59d49475c8 into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts when merging 8e8394a6cf1e464a76b4e4ad7a0742485d3ce42c into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 5 alerts when merging 88587f7aff40e2df7ec910f26a3055f31bcec404 into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 4 alerts and fixes 1 when merging 7199c757bcb75f402531d25729a466d9ae2130b2 into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 5 alerts and fixes 1 when merging 9ba2c3ad44dff17867d5303275bd46e6c2fea9ad into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging 7022bc57833f4713d18fb9e2dce15d3962547aa9 into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging 4cf6c9a7a492bb873ae9e3f1c1c8f22407f15f68 into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging cf36c3aa6fdd890f851e03c807e73083ba0bfb3b into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging 59bfaf064d9cffa927c69a40fbc4c3a30f5f33e9 into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging a801f0c197b214279f91910743c993c8b0dc292b into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging 12d35f7e973dcf29e0bfcdfe2342aeedf8825a41 into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging cfc40f8a191b26871bab836f01bef971ea4e588c into bbf7bbdea7ff88bc07fb3bb32343642b2329060a - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 6 alerts and fixes 1 when merging 32b63699104d854644093cfa06caa8bbd018ad11 into 022d2ee987e295b51133b39fba2051fbc9719a38 - view on LGTM.com

new alerts:

fixed alerts: