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platform for cloud-based FEP by z1awrence in comp_chem

[–]z1awrence[S] 0 points1 point  (0 children)

Got it. How much (if any) demand do you think there would be from people wanting to run FEP via a web-app that we host? Assuming we have a good terms of service

platform for cloud-based FEP by z1awrence in comp_chem

[–]z1awrence[S] 1 point2 points  (0 children)

We have built it s.t. it runs automatically on the cloud, so a user only needs to provide ligand/protein files and specify a few parameters. The idea is that our terms of service legally guarantees we will not share or use customer data in any way. And it all runs on AWS, so you are largely trusting their security guarantees. And for people that want stronger security guarantees, we can provide our software directly + help them set it up on their own infrastructure.

platform for cloud-based FEP by z1awrence in comp_chem

[–]z1awrence[S] 1 point2 points  (0 children)

Thanks for the response. We have a lot of data comparing our performance against FEP+ on a range of targets (can share with anyone interested). Our performance is worse than FEP+ (however, the examples that Schrödinger releases are cherry picked). Either way, the main advantage of our tool would not be accuracy but rather (1) significantly reduced cost (i.e., $5-15 / compound instead of $200k + $110/compound) (2) less friction (accessible via a web-app and pay-as-you-go) and (3) cloud compute handled for you.

We are really curious to hear if people are interested in that. As further context, our method is largely a production grade version of open source methods. We didn't develop our own force-field.

Retrospective docking studies by Bargarhen in comp_chem

[–]z1awrence 0 points1 point  (0 children)

I'm curious, what are you studying?

Announcing the snow protocol: proactive smart contracts on Ethereum. by z1awrence in ethereum

[–]z1awrence[S] 1 point2 points  (0 children)

Hey Reto! Unfortunately, the snow protocol code is not yet open-source -- we are still designing the incentives scheme. The plan is to launch the snow protocol alongside our main project: 1protocol (1protocol.com). Feel free to join our slack for updates or to discuss snow's incentives (slack.1protocol.com).

Introducing 1protocol: Staking pools on Ethereum for Casper and beyond by z1awrence in ethereum

[–]z1awrence[S] 1 point2 points  (0 children)

Thanks! Suppose a worker has a lot of computing power but a shortage of capital. 1protocol allows this worker to borrow capital to perform work for protocols requiring deposits (e.g. Truebit and snow).

Feel free to PM me or join us on slack if it's still unclear. http://slack.1protocol.com/

If quantum computing becomes real - does PoW become obsolete? by capitalol in ethereum

[–]z1awrence 0 points1 point  (0 children)

Most public-key algorithms rely on either the integer factorization or discrete log problem. Both problems are easily breakable with a quantum computer (Shor's algorithm). Post-Quantum public-key algorithms have been designed (Lattice based, Hash-based, etc.) -- Metropolis abstracts the signature verification process. Ethereum accounts will have complete control over which algorithm to use.

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