tsudalab / ACP4Links
AutoCorrelation of Pharmacophore Features
☆15Updated 2 years ago
Alternatives and similar repositories for ACP4
Users that are interested in ACP4 are comparing it to the libraries listed below
Sorting:
- ☆19Updated 8 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆29Updated last month
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆15Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- ☆34Updated last year
- ☆23Updated 4 years ago
- ☆45Updated 4 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 3 months ago
- faster docking☆19Updated 4 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆25Updated last month
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆47Updated last year
- Shape-based alignment of molecules using 3D point-based representation☆21Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆34Updated 4 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆27Updated last year
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆18Updated 2 years ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆16Updated last year
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆17Updated 2 years ago
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- ☆11Updated 7 months ago
- ☆26Updated 2 years ago
- ☆12Updated 3 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Updated 5 years ago
- A deep reinforcement learning library for conformer generation.☆19Updated last year
- ☆17Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- ☆25Updated 2 years ago
- ☆28Updated 2 months ago