☆18Sep 30, 2025Updated 9 months ago
Alternatives and similar repositories for FKSFold-Chai
Users that are interested in FKSFold-Chai are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Aug 12, 2021Updated 4 years ago
- ☆49Nov 29, 2025Updated 7 months ago
- ☆40Jan 19, 2026Updated 5 months ago
- A molecule generative model used interaction fingerprint (docking pose) as constraints.☆15Feb 13, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- Versatile human antibody sequence design☆22Apr 12, 2026Updated 2 months ago
- ☆13Jun 7, 2024Updated 2 years ago
- Python package for P2 (Path Planning), a masked diffusion model sampling method for sequence generation (protein, text, etc.).☆23Aug 19, 2025Updated 10 months ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 3 years ago
- code for adjoint-based diffusion samplers☆51Nov 24, 2025Updated 7 months ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- Code used in paper for G-loop mining.☆24Feb 23, 2025Updated last year
- ☆24Mar 21, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆19Aug 8, 2023Updated 2 years ago
- Code used to mine surfaces.☆34Feb 23, 2025Updated last year
- ☆42Jul 8, 2023Updated 2 years ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 4 months ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆12Jun 15, 2019Updated 7 years ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆93May 9, 2026Updated last month
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆27Sep 19, 2025Updated 9 months ago
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- ☆13Oct 6, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Predicting PROTAC protein degradation activity via machine learning.☆16Sep 17, 2025Updated 9 months ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 7 years ago
- ☆33Mar 11, 2023Updated 3 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Jun 25, 2026Updated last week
- ☆16Dec 24, 2016Updated 9 years ago
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 2 years ago
- ☆29Dec 13, 2023Updated 2 years ago
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- 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.
- Rust wrapper for the RDKit using CFFI☆16Mar 18, 2026Updated 3 months ago
- ☆66Mar 14, 2023Updated 3 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Jan 24, 2026Updated 5 months ago
- Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations…☆13Mar 12, 2026Updated 3 months ago
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Feb 11, 2026Updated 4 months ago
- ☆16Dec 14, 2023Updated 2 years ago
- Rust crate for linking against the RDKit C++ API☆21Oct 26, 2023Updated 2 years ago