[ICLR 2025] "Fast and Accurate Blind Flexible Docking"
☆16Feb 16, 2025Updated last year
Alternatives and similar repositories for FABFlex
Users that are interested in FABFlex are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆19Apr 14, 2026Updated 5 months ago
- ☆15Apr 30, 2025Updated last year
- Endstate corrections from MM to QML potential☆15Feb 28, 2024Updated 2 years ago
- An open-source library for the analysis of protein interactions.☆36Dec 5, 2021Updated 4 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Sep 1, 2026Updated 2 weeks ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆43Oct 9, 2024Updated last year
- ☆11Aug 3, 2023Updated 3 years ago
- ☆12May 12, 2025Updated last year
- ☆13Dec 29, 2022Updated 3 years ago
- ☆10Apr 1, 2022Updated 4 years ago
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆42Updated this week
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- ☆20Apr 12, 2024Updated 2 years ago
- Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling☆32Jun 3, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- ☆12Nov 15, 2020Updated 5 years ago
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆15Nov 24, 2020Updated 5 years ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆16Apr 3, 2026Updated 5 months ago
- ☆40Jun 10, 2025Updated last year
- Protein-protein binding affinity benchmark☆20Feb 14, 2025Updated last year
- ☆13Apr 14, 2022Updated 4 years ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 8 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Axel Kohlmeyer's development repository of the LAMMPS MD software package☆12Updated this week
- Molecular Dynamic Graph Neural Network☆20Aug 5, 2021Updated 5 years ago
- The package of ProBuilder from Longxing Cao lab☆26Jan 19, 2026Updated 8 months ago
- ☆23Oct 2, 2024Updated last year
- Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction☆16Oct 29, 2025Updated 10 months ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 8 months ago
- [Nature Communications] The implementation for the paper "An equivariant pretrained transformer for unified 3D molecular representation l…☆18Jun 25, 2026Updated 2 months ago
- ☆19Jul 8, 2022Updated 4 years ago
- Official PyTorch Implementation of ADKF-IFT from Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction …☆11Jun 5, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆146Sep 7, 2026Updated last week
- ☆19Feb 27, 2026Updated 6 months ago
- ☆91Jul 19, 2023Updated 3 years ago
- A semi-automated force field converter for GROMACS. Enables users to easily convert a system between two all-atom force fields. Requires …☆18Aug 1, 2026Updated last month
- ☆21Aug 5, 2025Updated last year
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 7 months ago
- A framework of methods and classes to simplify constructing typical views and constraints for UIKit views☆12Oct 6, 2021Updated 4 years ago