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.
☆24Updated 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 9 months ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆21Updated 2 years ago
- Free Parametrization for Small Molecules☆49Updated 2 months ago
- ☆18Updated 4 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 9 months ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆46Updated 4 years ago
- Multiscale Simulation Tool for Backmapping☆22Updated 3 months ago
- ☆21Updated last year
- A tutorials suite for BioSimSpace.☆31Updated 2 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 9 months ago
- Cloud-based Drug Binding Structure Prediction☆45Updated last month
- Weighted Ensemble Data Analysis and Plotting☆25Updated 3 weeks ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Updated 4 months ago
- Computational Chemistry Workflows☆56Updated 3 years ago
- Cloud GPU supported NAMD3-based binding free energy difference between two small molecules against the same protein target. This is prob…☆26Updated last month
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆20Updated 3 months ago
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆14Updated 5 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- ☆26Updated 10 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Updated 2 years ago
- ☆53Updated 7 months ago
- Scripts to do docking, single virtual screening, and etc.☆21Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated this week
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 7 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- ☆21Updated 8 months ago
- Protein surface topographical mapping tool☆28Updated 2 years ago
- ☆28Updated 7 months ago