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Compare biological models, docking engines, and computational workflows side-by-side. Filter by access model, compute footprint, and category to reach an actionable decision table in under a minute.
| Attribute | Scientific ML Libraries & Supporting Tools Rosetta macromolecular modeling suiteResearch / method authors | ＋ Add tool | ||||
|---|---|---|---|---|---|---|
| Category | Scientific ML Libraries & Supporting Tools | Scientific ML Libraries & Supporting Tools | Scientific ML Libraries & Supporting Tools | Scientific ML Libraries & Supporting Tools | Scientific ML Libraries & Supporting Tools | — |
| Subcategory | Scientific ML | Conventional or Statistical Baselines | Conventional or Statistical Baselines | Conventional or Statistical Baselines | Conventional or Statistical Baselines | — |
| Company | Datamol community | Research / method authors | Research / method authors | Research / method authors | Research / method authors | — |
| Access mode | Public code / project terms | Confirm distribution and exact release | Confirm distribution and exact release | Confirm distribution and exact release | Confirm distribution and exact release | — |
| Licence conditions | Review code, weights, data and service terms separately | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | — |
| Compute requirements | See source requirements for selected configuration | Version and data dependent | Version and data dependent | Version and data dependent | Version and data dependent | — |
| Biological application | Not recorded | Not recorded | Not recorded | Not recorded | Not recorded | — |
| Research workflow | Not recorded | Not recorded | Not recorded | Not recorded | Not recorded | — |
| Evidence level | Project/provider documentation; no local benchmark | PEER_REVIEWED_METHOD_OR_CONFERENCE | PEER_REVIEWED_METHOD_OR_CONFERENCE | PEER_REVIEWED_METHOD_OR_CONFERENCE | PEER_REVIEWED_METHOD_OR_CONFERENCE | — |
| Commercial eligibility | Not independently confirmed | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | — |
| Price | See project terms; compute costs may apply | Verify access and licence | Verify access and licence | Verify access and licence | Verify access and licence | — |
| Availability ⓘ | See project release and maintenance status | Method paper or official documentation | Method paper or official documentation | Method paper or official documentation | Method paper or official documentation | — |
| Features | Unified molecular featurization for ML workflows, Input: Molecular structures and chosen featurizer, Output: Descriptors or pretrained molecular embeddings | HMMER 3 scientific method, Query sequences or profile HMM and sequence database, Profile HMM hits and statistical homology significance | MMseqs2 scientific method, Amino acid queries and reference sequence database, Sequence matches, clusters and alignment results | NCBI BLAST+ scientific method, Nucleotide or protein query and appropriately indexed sequence database, Local sequence alignment scores and homolog candidates | Rosetta macromolecular modeling suite scientific method, Protein structures and appropriate score function and design constraints, Energy-optimized structural/design candidates | — |
| Entry type | Research software / framework | Classical/statistical scientific method | Classical/statistical scientific method | Classical/statistical scientific method | Classical/statistical scientific method | — |
| AI role | Method-dependent scientific ML workflow | NON_AI_CLASSICAL | NON_AI_CLASSICAL | NON_AI_CLASSICAL | NON_AI_PHYSICS_BASED | — |
| Input data | Molecular structures and chosen featurizer | Query sequences or profile HMM and sequence database | Amino acid queries and reference sequence database | Nucleotide or protein query and appropriately indexed sequence database | Protein structures and appropriate score function and design constraints | — |
| Output data | Descriptors or pretrained molecular embeddings | Profile HMM hits and statistical homology significance | Sequence matches, clusters and alignment results | Local sequence alignment scores and homolog candidates | Energy-optimized structural/design candidates | — |
| Validation | Not recorded | Published method scope; no independent BioAtlas execution or benchmark | Published method scope; no independent BioAtlas execution or benchmark | Published method scope; no independent BioAtlas execution or benchmark | Published method scope; no independent BioAtlas execution or benchmark | — |
| Type | Not recorded | Not recorded | Not recorded | Not recorded | Not recorded | — |
| Intended use | Biological and pharmaceutical research | Not recorded | Not recorded | Not recorded | Not recorded | — |
| Compatibility | Not recorded | Not recorded | Not recorded | Not recorded | Not recorded | — |
| Limitations | Different featurizers have separate dependencies and model terms; not every featurizer uses AI. | Not recorded | Not recorded | Not recorded | Not recorded | — |