Laboratoire-de-Chemoinformatique / Synt-OnLinks
Open-source tool for synthons-based library design.
☆83Updated 10 months ago
Alternatives and similar repositories for Synt-On
Users that are interested in Synt-On are comparing it to the libraries listed below
Sorting:
- ☆77Updated 2 years ago
- Thompson Sampling☆78Updated 6 months ago
- Kinase-focused fragment library☆66Updated last week
- An open library to work with pharmacophores.☆47Updated 2 years ago
- ☆47Updated 5 years ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆75Updated 3 weeks ago
- ☆89Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆43Updated last year
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆57Updated 5 months ago
- Mordred port in cpp☆50Updated 8 months ago
- ☆97Updated last year
- ☆58Updated 2 years ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆41Updated last year
- The official repository of Uni-pKa☆83Updated 7 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 8 months ago
- Dynamic pharmacophore modeling of molecular interactions☆36Updated last year
- Conformer multi-instance machine Learning☆59Updated last month
- Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range☆50Updated 3 months ago
- ☆65Updated 4 years ago
- BitBIRCH clustering algorithm☆114Updated 3 weeks ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Updated 4 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 5 years ago
- ☆35Updated last year
- The graph-convolutional neural network for pka prediction☆90Updated last year
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆57Updated 7 months ago
- ☆55Updated last month
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆90Updated 4 years ago
- ☆59Updated 7 months ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- The public versio☆67Updated 2 years ago