Updated today
by aipoch
open-science
The open-source AI research workbench for scientific research and agent workflows. Local-first, model-agnostic desktop app with extensible skills, MCP tools and connectors, Python/R execution and traceable artifacts for reproducible research on macOS, Windows and Linux.
4.9k GitHub stars (4,905)
| Period | New stars |
|---|---|
| Sep 27 | +2 |
| Sep 28 | +209 |
| Sep 29 | +132 |
| Sep 30 | +37 |
| Oct 1 | +10 |
| Oct 2 | +22 |
| Oct 3 | +10 |
| Oct 4 | +12 |
| Oct 5 | +26 |
| Oct 6 | +15 |
| Oct 7 | +15 |
| Oct 8 | +31 |
| Oct 9 | +36 |
| Oct 10 | −11 |
| Oct 11 | +13 |
| Oct 12 | +15 |
| Oct 13 | +13 |
| Oct 14 | −690 |
| Oct 15 | +26 |
| Oct 16 | +39 |
- 25 skills (25 skills found in its SKILL.md files)
- 483 forks (483 forks)
- Today last update (Last updated today)
Install
Skills CLI
npx skills add aipoch/open-science
Asks which skills and agents to install. Just one: npx skills add aipoch/open-science --skill alphafold2 — add -g for every project.
Claude Code
git clone https://github.com/aipoch/open-sciencecp -r "open-science/resources/skills/alphafold2" ~/.claude/skills/
Copies the alphafold2 skill into ~/.claude/skills/ for every project (use .claude/skills/ for one project). Repeat for the other skills listed below.
Plugin
/plugin marketplace add aipoch/open-science
Run inside Claude Code if the repository ships a plugin marketplace, then pick plugins from /plugin.
Skills can run code on your machine — read the SKILL.md first.
What it does
In the author's own words, from each skill's SKILL.md.
-
alphafold2
Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al. 2022, github.com/sokrypton/ColabFold; AlphaFold2 Jumper et al. 2021). Reach for this skill to fold a sequence or complex with the AF2/AF2-Multimer evoformer, to validate designed sequences by self-consistency pLDDT, ipTM, and RMSD, or to run a quick MSA-backed prediction using the public…
resources/skills/alphafold2/SKILL.md on GitHub (opens in a new tab) -
boltz
Structure prediction for protein, nucleic-acid, and small-molecule complexes with Boltz-2 (Passaro & Wohlwend et al. 2025, github.com/jwohlwend/boltz). Reach for this skill to validate designed binders against a target, to co-fold a protein with a SMILES or CCD ligand, or to get an open-source AlphaFold3 alternative with optional binding-affinity prediction.
resources/skills/boltz/SKILL.md on GitHub (opens in a new tab) -
borzoi
Predict genome-wide functional tracks (RNA-seq, CAGE, DNase, ChIP) from DNA sequence with Borzoi. Use this skill when: (1) Scoring the regulatory effect of a variant on expression/accessibility, (2) Generating predicted coverage tracks for a locus, (3) Prioritising non-coding variants by predicted track delta.
resources/skills/borzoi/SKILL.md on GitHub (opens in a new tab) -
chai1
Structure prediction for protein, nucleic-acid, and small-molecule complexes with the Chai-1 foundation model (Chai Discovery 2024, github.com/chaidiscovery/chai-lab). Reach for this skill to predict an antibody-antigen or protein-ligand complex from a single FASTA, to re-fold designed binders as an AlphaFold-multimer alternative, or to drive co-folding from Python for batched campaigns on a GPU.
resources/skills/chai1/SKILL.md on GitHub (opens in a new tab) -
compute-env-setup
Prepare reproducible setup instructions and validate a user-managed named software environment on an Open-Science SSH Compute Host, including direct SSH and Slurm hosts. Use when a remote job needs packages, modules, cache variables, or a repeatable activation that the host does not already provide.
resources/skills/compute-env-setup/SKILL.md on GitHub (opens in a new tab) -
customize
Use when the user wants to create or manage a Specialist agent or create, revise, publish, or delete a Skill through the conversational `/Customize` entry. Routes Skill work to the internal skill-creator and handles Specialist work through the JavaScript host.agents SDK.
resources/skills/customize/SKILL.md on GitHub (opens in a new tab) -
diffdock
Predict small-molecule binding poses with DiffDock-L (Corso et al. 2023/2024, github.com/gcorso/DiffDock) — blind diffusion docking that places a ligand into a protein pocket without a predefined search box and ranks the samples with a learned confidence model. Reach for this skill to dock a SMILES or SDF against a PDB, to generate ranked 3D poses for a small fragment library, or to get a startin…
resources/skills/diffdock/SKILL.md on GitHub (opens in a new tab) -
env-management
Use when a notebook run fails on a missing package (ImportError, ModuleNotFoundError, "there is no package called"), when you need to inspect an installed package version, or when you need to install, add, or manage Python or R packages for the notebook runtime. Covers inspect_packages, routing Python vs R through manage_packages, why in-cell %pip/!pip/install.packages() and OS installers are for…
resources/skills/env-management/SKILL.md on GitHub (opens in a new tab) -
esmfold2
Biohub ESMFold2 / ESMFold2-Fast all-atom co-folding (Candido et al. 2026, github.com/Biohub/esm). Single-sequence and MSA modes; protein, DNA, RNA, ligand (CCD/SMILES), modified residues. FoldBench Ab-Ag 50-55%, PPI 70-77% DockQ-pass. Also covers the ESMC-{300M,600M,6B} protein language models from the same release: masked-LM logits, hidden states, mutation scoring, contact prediction, and the SA…
resources/skills/esmfold2/SKILL.md on GitHub (opens in a new tab) -
evo2
Score, embed, and generate DNA sequences with Evo 2, a long-context genomic foundation model. Use this skill when: (1) Computing per-nucleotide or per-sequence likelihoods for variant effect scoring, (2) Embedding genomic windows for downstream classification, (3) Generating DNA conditioned on a prefix, (4) Scoring regulatory or coding regions across species.
resources/skills/evo2/SKILL.md on GitHub (opens in a new tab) -
fair-esm2
Embed proteins with Meta AI's ESM-2 (`fair-esm` package). Use this skill when: (1) Extracting per-residue or per-sequence embeddings for downstream ML, (2) Masked-LM likelihood / mutation effect scoring, (3) Contact prediction from a sequence.
resources/skills/fair-esm2/SKILL.md on GitHub (opens in a new tab) -
figure-composer
Compose one publication-grade multi-panel figure. Start from a one-line claim plus immutable data Artifact Version references, or inspect an existing figure and draft its outline directly. Plan a 12-column panel outline, delegate one worker per panel, compose and inspect the result, then run at most three adversarial review rounds while regenerating only affected panels. For a standalone plot use…
resources/skills/figure-composer/SKILL.md on GitHub (opens in a new tab) -
figure-style
Publication-grade correctness and legibility rules for final-deliverable scientific figures, not exploratory plots. Use for a figure that will ship in a report, paper, export, or kept artifact. Covers data fidelity, label economy, color threading, chart choice, layout, and render-then-verify QA without imposing a visual house style. For multi-panel composition use `figure-composer`; for whole-pap…
resources/skills/figure-style/SKILL.md on GitHub (opens in a new tab) -
indication-dossier
Generate a therapeutic indication dossier. Covers the patient population, epidemiology, disease biology, standard of care, regulatory precedent, and landmark clinical trials.
resources/skills/indication-dossier/SKILL.md on GitHub (opens in a new tab) -
ligandmpnn
Inverse-fold a backbone with ligand, nucleic-acid, and metal context using LigandMPNN (Dauparas et al. 2023, github.com/dauparas/LigandMPNN). Reach for this skill to redesign the residues lining a binding pocket around a bound small molecule or cofactor, to design metal-coordinating sites where the geometry must be respected, or to get threaded designed-sequence PDBs out of any MPNN run.
resources/skills/ligandmpnn/SKILL.md on GitHub (opens in a new tab) -
literature-review
Find, verify, and synthesize scientific literature — from "what's the seminal paper for X" through full multi-source reviews. Covers grounding claims in real retrieved sources, avoiding fabricated citations, handling retractions, and calibrating confidence to evidence strength.
resources/skills/literature-review/SKILL.md on GitHub (opens in a new tab) -
openfold3
Structure prediction using OpenFold3, an open-weights PyTorch reproduction of AlphaFold3 from the AlQuraishi Lab. Use this skill when predicting protein/nucleic-acid/ligand complex structures with an Apache-2.0-licensed AF3 reimplementation.
resources/skills/openfold3/SKILL.md on GitHub (opens in a new tab) -
paper-narrative
Judge and reshape the story told by an entire paper figure deck. Use when writing or revising a paper to derive a grounded brief from the manuscript and captions, review the full deck as a handling editor, and hand an ordered figure arc to `figure-composer`.
resources/skills/paper-narrative/SKILL.md on GitHub (opens in a new tab) -
proteinmpnn
Inverse-fold a protein backbone (PDB structure) into amino-acid sequence with ProteinMPNN (Dauparas et al. 2022, github.com/dauparas/ProteinMPNN). Reach for this skill to run sequence design on RFdiffusion backbones, to redesign one chain of a PDB while holding interface residues fixed, or to generate a temperature-swept set of sequences for downstream folding.
resources/skills/proteinmpnn/SKILL.md on GitHub (opens in a new tab) -
remote-compute-ssh
Evaluate and use SSH Remote Compute before choosing where to run GPU, high-memory, parallel, batch, model-inference, bioinformatics, or other long-running scientific work; supports short remote commands and asynchronous jobs with automatic harvest and analysis.
resources/skills/remote-compute-ssh/SKILL.md on GitHub (opens in a new tab) -
scgpt
Embed and annotate single-cell expression data with scGPT, a foundation model for single-cell biology. Use this skill when: (1) Producing cell embeddings from an AnnData for clustering/integration, (2) Zero-shot or fine-tuned cell-type annotation, (3) Gene-level representation for perturbation/GRN tasks. For probabilistic single-cell models (scVI etc.), use the scvi-tools library.
resources/skills/scgpt/SKILL.md on GitHub (opens in a new tab) -
scvi-tools
Probabilistic single-cell RNA-seq with scvi-tools — scVI for a batch-corrected latent space, scANVI for semi-supervised label transfer, and Bayesian differential expression. Reach for this skill to integrate scRNA-seq batches, embed cells for clustering, transfer annotations from a reference onto a query, or score differentially expressed genes per cluster. For spatial deconvolution / mapping use…
resources/skills/scvi-tools/SKILL.md on GitHub (opens in a new tab) -
self-awareness
Inspect Open-Science's JavaScript control REPL, discover managed Project files, Sessions, and Agent Frames, and safely feature-gate host.* calls with host.capabilities(). Use when an Agent needs to discover available host APIs, locate an Artifact or Upload Version, diagnose a Session, or read a Frame transcript in the current Project.
resources/skills/self-awareness/SKILL.md on GitHub (opens in a new tab) -
skill-creator
Create, revise, evaluate, publish, and improve Open-Science Skills through the native JavaScript host.skills composer. Use when the user wants a reusable workflow, an existing Skill changed, test cases or benchmarks for a Skill, or better Skill triggering.
resources/skills/skill-creator/SKILL.md on GitHub (opens in a new tab) -
solublempnn
Inverse-fold a backbone with SolubleMPNN — ProteinMPNN retrained on a soluble-PDB subset (Dauparas et al. 2022) — for sequences biased toward cytosolic expression and reduced aggregation. Reach for this skill when designs from vanilla ProteinMPNN are aggregating or going to inclusion bodies, when redesigning a membrane-adjacent fold for soluble expression, or when an E. coli expression screen is…
resources/skills/solublempnn/SKILL.md on GitHub (opens in a new tab)
No skill matches that filter.
Review before you install
A skill is a set of instructions and scripts your agent will follow, and it can run code on your machine. Read the SKILL.md and any scripts first — this listing is not a security review.