coleygroup / sparrowLinks
☆55Updated 2 months ago
Alternatives and similar repositories for sparrow
Users that are interested in sparrow are comparing it to the libraries listed below
Sorting:
- Python-based GUI to collect Feedback of Chemist in Molecules☆52Updated 10 months ago
- Thompson Sampling☆74Updated 4 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 6 months ago
- Mordred port in cpp☆50Updated 6 months ago
- ☆85Updated last year
- BitBIRCH clustering algorithm☆92Updated last month
- Machine Learning model for molecular micro-pKa prediction☆42Updated 11 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆42Updated 2 months ago
- Open-source tool for synthons-based library design.☆81Updated 8 months ago
- The official repository of Uni-pKa☆69Updated 5 months ago
- Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.☆36Updated 2 weeks ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- Augmented Memory and Beam Enumeration implementation☆25Updated last year
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆72Updated 5 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated last year
- ☆54Updated 5 months ago
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆46Updated 3 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆70Updated 3 months ago
- ☆92Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range☆43Updated last month
- ☆56Updated 2 years ago
- An open library to work with pharmacophores.☆45Updated 2 years ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆27Updated 9 months ago
- ☆46Updated 4 years ago
- The public versio☆62Updated 2 years ago
- ☆35Updated last year
- ☆76Updated 2 years ago
- ☆45Updated last month
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆50Updated 5 months ago