oddt / rfscorevsLinks
RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
☆49Updated 6 years ago
Alternatives and similar repositories for rfscorevs
Users that are interested in rfscorevs are comparing it to the libraries listed below
Sorting:
- RF-Score-VS binary☆31Updated 6 years ago
- 3D pharmacophore signatures and fingerprints☆106Updated 2 months ago
- ☆92Updated 5 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- ☆76Updated 2 years ago
- Kinase-focused fragment library☆65Updated 3 weeks ago
- ☆29Updated last year
- An open library to work with pharmacophores.☆45Updated 2 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆70Updated last year
- Open-source tool for synthons-based library design.☆81Updated 6 months ago
- 3D ligand-based pharmacophore modeling☆50Updated 2 months ago
- ☆42Updated 3 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- pythonic interface to virtual screening software☆88Updated 2 years ago
- ☆56Updated 2 years ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆40Updated last year
- ☆38Updated 4 years ago
- This is a machine-learning based protein-ligand scoring function.☆51Updated 4 years ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆49Updated 4 years ago
- toolkit for prediction pKa values of small molecules via graph convolutional networks☆64Updated 2 years ago
- ☆17Updated 6 months ago
- Ligand bioactivity prediction☆58Updated last year
- ☆19Updated 3 years ago
- The graph-convolutional neural network for pka prediction☆82Updated last year
- ☆46Updated 4 years ago
- ☆25Updated 5 years ago
- ☆55Updated last year
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆90Updated 4 months ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last year