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.
☆21Updated 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:
- WaterDock-2.0 implementation with Akshay Sridhar☆16Updated last year
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 4 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 5 months ago
- Cloud-based Drug Binding Structure Prediction☆37Updated 4 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆29Updated 2 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 months ago
- Multiscale Simulation Tool for Backmapping☆17Updated 2 weeks ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆25Updated 2 months ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Updated 2 years ago
- Protein surface topographical mapping tool☆28Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆16Updated last month
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Updated 3 years ago
- Fully automated high-throughput MD pipeline☆63Updated last month
- Python API for Pharmer☆12Updated 6 years ago
- Energy minimization post-processing used in PoseBusters☆12Updated 4 months ago
- ☆14Updated last week
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- ☆26Updated 2 years ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 4 months ago
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆22Updated 5 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated 11 months ago
- Tool to predict water molecules placement and energy in ligand binding sites☆28Updated this week
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆36Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆21Updated 7 months ago