steinmanngroup / smi2sdf Public

Notifications You must be signed in to change notification settings
Fork 5
Star 3

Conversion of SMILES to SDF files through RDKit

3 stars 5 forks Branches Tags Activity

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
csv2smi.py		csv2smi.py
sdf2mae.sh		sdf2mae.sh
smi2sdf.py		smi2sdf.py
smi2sdf.sh		smi2sdf.sh

Repository files navigation

smi2sdf

A selection of utilities to work with a range of file formats in various programs. Currently supports conversion of

.smi (2D) to .sdf (3D, through RDKit)
.sdf to .mae (through Schrodinger)
conversion of .csv files to .smi

About

Conversion of SMILES to SDF files through RDKit

Custom properties

Report repository

Releases

No releases published

Packages

No packages published

Languages