aipoch/open-science

Open Science is an open-source, local-first, model-agnostic AI research workbench for reproducible scientific research on macOS, Windows, and Linux.

3.5kStars on the repository
28Mods indexed here, across every type
todayLast push, which is what freshness is scored on
Apache-2.0Licence, which decides whether bodies are shown

alphafold2

01

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 117 tokens original Apache-2.0

boltz

02

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 88 tokens original Apache-2.0

borzoi

03

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 today A 79 tokens original Apache-2.0

chai1

04

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 98 tokens original Apache-2.0

customize

05

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 today A 56 tokens original Apache-2.0

diffdock

06

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 111 tokens original Apache-2.0

env-management

07

aipoch/open-science

Skill Claude CodeCodex

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 inspectpackages, routing Python vs R through…

3.5k +190 today C 105 tokens original Apache-2.0

esmfold2

08

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 223 tokens original Apache-2.0

evo2

09

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 83 tokens original Apache-2.0

fair-esm2

10

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 today A 66 tokens original Apache-2.0

figure-composer

11

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 93 tokens original Apache-2.0

figure-style

12

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 91 tokens original Apache-2.0

indication-dossier

13

aipoch/open-science

Skill Claude CodeCodex

Generate a therapeutic indication dossier. Covers the patient population, epidemiology, disease biology, standard of care, regulatory precedent, and landmark clinical trials.

3.5k +190 today A 34 tokens original Apache-2.0

ligandmpnn

14

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 100 tokens original Apache-2.0

literature-review

15

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 today A 54 tokens original Apache-2.0

openfold3

16

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 today A 60 tokens original Apache-2.0

paper-narrative

17

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 today A 58 tokens original Apache-2.0

proteinmpnn

18

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 88 tokens original Apache-2.0

remote-compute-ssh

19

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 changed today A 53 tokens original Apache-2.0

scgpt

20

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 89 tokens original Apache-2.0

scvi-tools

21

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 100 tokens original Apache-2.0

self-awareness

22

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 changed today A 69 tokens original Apache-2.0

skill-creator

23

aipoch/open-science

Skill Claude CodeCodex

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.

3.5k +190 today A 53 tokens original Apache-2.0

solublempnn

24

aipoch/open-science

Skill Claude CodeCodex

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…

3.5k +190 today A 96 tokens original Apache-2.0