SKTeamLab / P4wardLinks
☆15Updated 2 months ago
Alternatives and similar repositories for P4ward
Users that are interested in P4ward are comparing it to the libraries listed below
Sorting:
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 6 months ago
- Consensus pharmacophore for Drug Design☆14Updated 3 months ago
- ☆17Updated last year
- ☆52Updated 6 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated 2 months ago
- ML-guided visual inspection for molecular docking☆20Updated 5 months ago
- ☆13Updated last year
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 7 months ago
- ☆12Updated 4 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…☆17Updated last year
- ☆12Updated last year
- ☆16Updated last year
- ☆12Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 7 months ago
- ☆26Updated 2 years ago
- ☆19Updated 9 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆17Updated 2 years ago
- ☆32Updated 3 months ago
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆33Updated last year
- ☆25Updated 2 weeks ago
- ☆27Updated last year
- ☆19Updated 5 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 8 months ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Updated 3 years ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- ☆25Updated last year
- Weighted Ensemble Data Analysis and Plotting☆24Updated 5 months ago