osmoai / osmordredLinks
Mordred port in cpp
☆50Updated 5 months ago
Alternatives and similar repositories for osmordred
Users that are interested in osmordred are comparing it to the libraries listed below
Sorting:
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆46Updated 2 months ago
- Machine Learning model for molecular micro-pKa prediction☆43Updated 10 months ago
- Open-source tool for synthons-based library design.☆81Updated 7 months ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- ☆34Updated last year
- Python-based GUI to collect Feedback of Chemist in Molecules☆52Updated 10 months ago
- Thompson Sampling☆74Updated 3 months ago
- ☆84Updated last year
- A Comprehensive Topological Complexity Indicator for Small Molecules☆17Updated 11 months ago
- ☆76Updated 2 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated last year
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆42Updated last month
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆72Updated 5 months ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- ☆34Updated 3 years ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 5 months ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆27Updated 8 months ago
- ☆31Updated last year
- ☆55Updated last month
- ☆46Updated 4 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last year
- The official repository of Uni-pKa☆66Updated 4 months ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Updated 6 months ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆18Updated 2 years ago
- BitBIRCH clustering algorithm☆90Updated 2 weeks ago
- ☆64Updated 4 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆50Updated 4 months ago
- Molecular Library Toolbox☆59Updated 3 weeks ago
- Kinase-focused fragment library☆65Updated last month