quantaosun / FEP-MinusLinks
Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus identical calculation but for FREE (Only for Academic community). Give it a like if this helps you so that I know this is useful to others.
☆23Updated last year
Alternatives and similar repositories for FEP-Minus
Users that are interested in FEP-Minus are comparing it to the libraries listed below
Sorting:
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 8 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆21Updated 2 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 9 months ago
- Cloud-based Drug Binding Structure Prediction☆44Updated 3 weeks ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Updated 2 years ago
- Weighted Ensemble Data Analysis and Plotting☆24Updated 5 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 6 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆25Updated 2 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- ☆18Updated 4 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated this week
- Contributed and additional nodes for maize☆18Updated last month
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆19Updated 2 months ago
- Fully automated high-throughput MD pipeline☆85Updated 3 months ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 4 years ago
- Free Parametrization for Small Molecules☆49Updated 2 months ago
- Multiscale Simulation Tool for Backmapping☆21Updated 2 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆32Updated last month
- A tutorials suite for BioSimSpace.☆31Updated last month
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆46Updated 4 years ago
- ☆17Updated 4 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆39Updated last month
- ☆21Updated 8 months ago
- ☆21Updated last year
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- ☆16Updated last year
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year