Skip to content

Releases: GLambard/SMILES-X

SMILES-X v1.0

24 Oct 07:22
@GLambard GLambard
1.0
290cf9f
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Learn about vigilant mode.
Compare
Choose a tag to compare
SMILES-X v1.0 Latest
Latest

SMILES-X is an autonomous pipeline that finds the best neural architectures to predict a physicochemical property from molecular SMILES only (see OpenSMILES). No human-engineered descriptors are needed. The SMILES-X has been specially designed for small datasets (from a few hundred to a few thousands of samples).

Assets 2
Loading