☆14Oct 23, 2024Updated last year
Alternatives and similar repositories for PCANN
Users that are interested in PCANN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Feb 2, 2026Updated 5 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆13Oct 9, 2024Updated last year
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- PPI version of Pythia☆35Jun 13, 2026Updated last month
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Bokeh extensions to plot molecules easily☆11Jul 14, 2025Updated last year
- ☆42Mar 26, 2025Updated last year
- ☆12Jun 14, 2025Updated last year
- ☆11Jul 30, 2025Updated 11 months ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆18Sep 13, 2025Updated 10 months ago
- Dockerized Version of the DiffDock model from MIT☆13May 22, 2023Updated 3 years ago
- machine learning guided antigenic evolution prediction☆12Jun 19, 2023Updated 3 years ago
- Analysis of alphafold and colabfold results☆49May 22, 2026Updated 2 months ago
- ☆13Oct 6, 2024Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆20Apr 16, 2024Updated 2 years ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- ☆19Sep 4, 2025Updated 10 months ago
- Rendering protein mutation movies from predicted 3D structures☆20Dec 7, 2023Updated 2 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- ☆10Apr 20, 2022Updated 4 years ago
- Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational m…☆10Mar 19, 2022Updated 4 years ago
- MpbPPI: A multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein …☆18Oct 6, 2024Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- A protein language model for learning the SARS-CoV-2 fitness landscape☆16Apr 22, 2025Updated last year
- ☆23Oct 2, 2024Updated last year
- A quantitative benchmark and analysis of molecular large language models.☆19Jun 3, 2025Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 5 months ago
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆17Feb 4, 2025Updated last year
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 3 weeks ago
- Constraint-based Metabolic Modeling Course☆11Jul 25, 2022Updated 3 years ago
- Predict scalar coupling in molecules☆15Mar 14, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆28Oct 16, 2023Updated 2 years ago
- [AAAI 2025] CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction☆39Dec 23, 2024Updated last year
- ☆24Jun 23, 2021Updated 5 years ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- ☆23Mar 25, 2025Updated last year
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆73Updated this week
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆32Dec 8, 2023Updated 2 years ago