Last updated: 2025-06-23 09:10:53 GMT
- Total Models: 180
- Percentage Ready to Use: 86.67%
Model Categorization
| Category | Count |
|---|---|
| ADME | 28 |
| Descriptor | 27 |
| Chemical graph model | 22 |
| Toxicity | 20 |
| Similarity | 16 |
| Embedding | 16 |
| Compound generation | 14 |
| Fingerprint | 13 |
| Metabolism | 13 |
| Permeability | 13 |
| MoleculeNet | 12 |
| Chemical language model | 11 |
| Antimicrobial activity | 11 |
| ChEMBL | 10 |
| Chemical notation | 7 |
| Chemical synthesis | 7 |
| Solubility | 7 |
| IC50 | 7 |
| Untagged | 7 |
| P.falciparum | 6 |
| Malaria | 6 |
| Cardiotoxicity | 6 |
| Human | 6 |
| M.tuberculosis | 6 |
| Dummy | 6 |
| CYP450 | 5 |
| Antiviral activity | 5 |
| Natural product | 5 |
| LogP | 5 |
| Synthetic accessibility | 5 |
| Drug-likeness | 5 |
| hERG | 5 |
| Bioactivity profile | 4 |
| Tuberculosis | 4 |
| Lipophilicity | 4 |
| COVID19 | 4 |
| Half-life | 4 |
| Sars-CoV-2 | 3 |
| Quantum properties | 3 |
| Microsomal stability | 3 |
| Tox21 | 2 |
| Side effects | 2 |
| pKa | 2 |
| DrugBank | 2 |
| LogS | 2 |
| BACE | 2 |
| Cancer | 2 |
| HIV | 2 |
| Alzheimer | 2 |
| Fraction bound | 2 |
| Target identification | 2 |
| Cytotoxicity | 2 |
| Papp | 2 |
| HBV | 1 |
| Mycetoma | 1 |
| E.coli | 1 |
| ToxCast | 1 |
| Antifungal activity | 1 |
| Price | 1 |
| ZINC | 1 |
| Molecular weight | 1 |
| LogD | 1 |
| Schistosomiasis | 1 |
| Therapeutic indication | 1 |
| Neglected tropical disease | 1 |
| MIC90 | 1 |
| GPCR | 1 |
| ESKAPE | 1 |
| HDAC1 | 1 |
| Rat | 1 |
| A.baumannii | 1 |
| N.gonorrhoeae | 1 |
| Biomedical text | 1 |
Most Recent Models
| Title | Contributor | Date | Status |
|---|---|---|---|
| Knowledge-guided pre-trained graph transformer | miquelduranfrigola | 2024-12-17 | In progress |
| Antimicrobial class specificity prediction | miquelduranfrigola | 2024-12-17 | Ready |
| MolE molecular embeddings | miquelduranfrigola | 2024-11-18 | In progress |
| Projections against Coconut | miquelduranfrigola | 2024-11-10 | Ready |
| Chemical space 2D projections against DrugBank | miquelduranfrigola | 2024-11-09 | Ready |
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- Countries Represented: 17
- Total Contributors: 99
Role Distribution
| Role | Count |
|---|---|
| Volunteer | 51 |
| Intern | 29 |
| Trustee | 5 |
| Mentor | 4 |
| MSc Student | 4 |
| Employee | 4 |
| Advisor | 3 |
| OS Maintainer | 3 |
| BSc Student | 2 |
| Visiting Researcher | 1 |
Duration of Involvement
| Duration | Count |
|---|---|
| < 3 Months | 69 |
| 3-6 Months | 16 |
| > 1 Year | 11 |
| 6-12 Months | 1 |
Contributors by Country
| Country | Contributors |
|---|---|
| United States | 52 |
| Spain | 11 |
| Nigeria | 10 |
| India | 7 |
| Australia | 3 |
| Colombia | 2 |
| Pakistan | 2 |
| South Africa | 2 |
| Poland | 2 |
| Kenya | 1 |
| Uganda | 1 |
| United Kingdom | 1 |
| Cameroon | 1 |
| Italy | 1 |
| Singapore | 1 |
| Serbia | 1 |
| Namibia | 1 |
- Total Blogposts: 46
Blogpost Topics Distribution
| Topic | Count | Percentage |
|---|---|---|
| AI/ML in Drug Discovery | 15 | 32.61% |
| Ersilia Open Source Initiative | 12 | 26.09% |
| Personal Reflections | 6 | 13.04% |
| Funding & Partnerships | 5 | 10.87% |
| Open Science | 3 | 6.52% |
| Software Development & Infrastructure | 3 | 6.52% |
| Global Health | 2 | 4.35% |
Blogposts Over Time
| Year | Quarter | Post Count |
|---|---|---|
| 2021 | Q2 | 6 |
| 2021 | Q3 | 4 |
| 2021 | Q4 | 2 |
| 2022 | Q1 | 3 |
| 2022 | Q2 | 2 |
| 2022 | Q3 | 3 |
| 2022 | Q4 | 2 |
| 2023 | Q1 | 2 |
| 2023 | Q2 | 3 |
| 2023 | Q3 | 4 |
| 2023 | Q4 | 4 |
| 2024 | Q1 | 3 |
| 2024 | Q2 | 3 |
| 2024 | Q3 | 2 |
| 2024 | Q4 | 3 |
- Total Organizations: 217
Organization Types
| Type | Count |
|---|---|
| Academia | 62 |
| Foundation | 50 |
| Nonprofit | 34 |
| Corporate | 33 |
| Pharma | 15 |
| Government | 12 |
| Accelerator | 8 |
Organizations by Country
| Country | Total Organizations |
|---|---|
| United States | 103 |
| Spain | 26 |
| United Kingdom | 25 |
| Switzerland | 9 |
| South Africa | 9 |
| Germany | 5 |
| Cameroon | 5 |
| Belgium | 5 |
| Brazil | 3 |
| Ghana | 3 |
| Kenya | 2 |
| Zambia | 2 |
| France | 2 |
| Guinea | 2 |
| Mexico | 1 |
| Austria | 1 |
| Australia | 1 |
| United Arab Emirates | 1 |
| Netherlands | 1 |
| Gambia | 1 |
| Japan | 1 |
| Italy | 1 |
| Zimbabwe | 1 |
| Singapore | 1 |
| Tanzania | 1 |
| Unknown | 1 |
- Total Authors: 229
- Top Author: Patrick Aloy (H-index: 56)
Top Authors
| Name | Ersilia Pubs | H-index | Total Pubs |
|---|---|---|---|
| Patrick Aloy | 2 | 56.0 | 17 |
| Kelly Chibale | 2 | 40.0 | 2 |
| Izukanji Sikazwe | 2 | 26.0 | 2 |
Patrick Aloy - See Publications ⬇️
| Title | Year | URL |
|---|---|---|
| Integrating and formatting biomedical data as pre-calculated knowledge graph embeddings in the Bioteque | 2022 | https://www.nature.com/articles/s41467-022-33026-0 |
| Connecting chemistry and biology through molecular descriptors | 2021 | https://www.sciencedirect.com/science/article/pii/S1367593121001204?via%3Dihub |
Kelly Chibale - See Publications ⬇️
| Title | Year | URL |
|---|---|---|
| First fully-automated AI/ML virtual screening cascade implemented at a drug discovery centre in Africa | 2023 | https://www.nature.com/articles/s41467-023-41512-2 |
| AI coupled to pharmacometric modelling to tailor malaria and tuberculosis treatment in Africa | 2024 | https://www.medrxiv.org/content/10.1101/2024.11.07.24316884v1 |
Izukanji Sikazwe - See Publications ⬇️
| Title | Year | URL |
|---|---|---|
| Cervical cancer screening outcomes in Zambia, 2010–19: a cohort study | 2021 | https://www.sciencedirect.com/science/article/pii/S2214109X21000620 |
| Evaluation of kidney function among people living with HIV initiating antiretroviral therapy in Zambia | 2022 | https://journals.plos.org/globalpublichealth/article?id=10.1371/journal.pgph.0000124 |
Disease Statistics
| Disease | Estimated Total Cases | Estimated Total Deaths |
|---|---|---|
| Hivaids | 39,210,870 | 27,580,837 |
| Covid | 777,960,925 | 7,096,087 |
| Malaria | 5,803,879,735 | 16,350,291 |
| Tb | 266,223,221 | 45,710,244 |
| Measles | 48,011,837 | 0 |
| Polio | 541,429 | 0 |
The full data output that this report is based on can be found in data/ and external-data/. An abbreviated version can be found in reports/table_stats.json.